3-[1-(3H-benzimidazol-5-yl)-4-phenylpiperazin-2-yl]propanamide;2-[3-(2H-benzotriazol-4-ylmethyl)-5-benzylimidazol-4-yl]acetamide;2-[5-benzyl-3-(1H-indazol-4-ylmethyl)imidazol-4-yl]acetamide;1-[5-benzyl-3-(1H-indazol-5-ylmethyl)imidazol-4-yl]propan-2-one;1-[3-(1H-indazol-4-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;1-[3-(1H-indazol-5-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;3-[1-(1H-indazol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(1H-indazol-5-yl)-4-phenylpiperazin-2-yl]propanamide

C160H166N38O8 — CID 158679512

IUPAC3-[1-(3H-benzimidazol-5-yl)-4-phenylpiperazin-2-yl]propanamide;2-[3-(2H-benzotriazol-4-ylmethyl)-5-benzylimidazol-4-yl]acetamide;2-[5-benzyl-3-(1H-indazol-4-ylmethyl)imidazol-4-yl]acetamide;1-[5-benzyl-3-(1H-indazol-5-ylmethyl)imidazol-4-yl]propan-2-one;1-[3-(1H-indazol-4-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;1-[3-(1H-indazol-5-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;3-[1-(1H-indazol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(1H-indazol-5-yl)-4-phenylpiperazin-2-yl]propanamide
SMILESCC(=O)Cc1c(Cc2ccccc2)ncn1Cc1ccc2[nH]ncc2c1.CC(O)Cc1c(-c2ccccc2)ncn1Cc1ccc2[nH]ncc2c1.CC(O)Cc1c(-c2ccccc2)ncn1Cc1cccc2[nH]ncc12.NC(=O)CCC1CN(c2ccccc2)CCN1c1ccc2[nH]ncc2c1.NC(=O)CCC1CN(c2ccccc2)CCN1c1ccc2nc[nH]c2c1.NC(=O)CCC1CN(c2ccccc2)CCN1c1cccc2[nH]ncc12.NC(=O)Cc1c(Cc2ccccc2)ncn1Cc1cccc2[nH]ncc12.NC(=O)Cc1c(Cc2ccccc2)ncn1Cc1cccc2n[nH]nc12
InChIInChI=1S/C21H20N4O.C20H19N5O.3C20H23N5O.2C20H20N4O.C19H18N6O/c1-15(26)9-21-20(11-16-5-3-2-4-6-16)22-14-25(21)13-17-7-8-19-18(10-17)12-23-24-19;21-20(26)10-19-18(9-14-5-2-1-3-6-14)22-13-25(19)12-15-7-4-8-17-16(15)11-23-24-17;21-20(26)10-9-16-14-24(15-5-2-1-3-6-15)11-12-25(16)19-8-4-7-18-17(19)13-22-23-18;21-20(26)9-7-18-14-24(16-4-2-1-3-5-16)10-11-25(18)17-6-8-19-15(12-17)13-22-23-19;21-20(26)9-7-17-13-24(15-4-2-1-3-5-15)10-11-25(17)16-6-8-18-19(12-16)23-14-22-18;1-14(25)10-19-20(15-6-3-2-4-7-15)21-13-24(19)12-16-8-5-9-18-17(16)11-22-23-18;1-14(25)9-19-20(16-5-3-2-4-6-16)21-13-24(19)12-15-7-8-18-17(10-15)11-22-23-18;20-18(26)10-17-16(9-13-5-2-1-3-6-13)21-12-25(17)11-14-7-4-8-15-19(14)23-24-22-15/h2-8,10,12,14H,9,11,13H2,1H3,(H,23,24);1-8,11,13H,9-10,12H2,(H2,21,26)(H,23,24);1-8,13,16H,9-12,14H2,(H2,21,26)(H,22,23);1-6,8,12-13,18H,7,9-11,14H2,(H2,21,26)(H,22,23);1-6,8,12,14,17H,7,9-11,13H2,(H2,21,26)(H,22,23);2-9,11,13-14,25H,10,12H2,1H3,(H,22,23);2-8,10-11,13-14,25H,9,12H2,1H3,(H,22,23);1-8,12H,9-11H2,(H2,20,26)(H,22,23,24)
InChIKeyIEYBJGHGTFVNSY-UHFFFAOYSA-N
MW2749.35 g/mol
LogP22.14
Rot. Bonds43

About 3-[1-(3H-benzimidazol-5-yl)-4-phenylpiperazin-2-yl]propanamide;2-[3-(2H-benzotriazol-4-ylmethyl)-5-benzylimidazol-4-yl]acetamide;2-[5-benzyl-3-(1H-indazol-4-ylmethyl)imidazol-4-yl]acetamide;1-[5-benzyl-3-(1H-indazol-5-ylmethyl)imidazol-4-yl]propan-2-one;1-[3-(1H-indazol-4-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;1-[3-(1H-indazol-5-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;3-[1-(1H-indazol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(1H-indazol-5-yl)-4-phenylpiperazin-2-yl]propanamide

3-[1-(3H-benzimidazol-5-yl)-4-phenylpiperazin-2-yl]propanamide;2-[3-(2H-benzotriazol-4-ylmethyl)-5-benzylimidazol-4-yl]acetamide;2-[5-benzyl-3-(1H-indazol-4-ylmethyl)imidazol-4-yl]acetamide;1-[5-benzyl-3-(1H-indazol-5-ylmethyl)imidazol-4-yl]propan-2-one;1-[3-(1H-indazol-4-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;1-[3-(1H-indazol-5-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;3-[1-(1H-indazol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(1H-indazol-5-yl)-4-phenylpiperazin-2-yl]propanamide (PubChem CID 158679512) has the molecular formula C160H166N38O8 and a molecular weight of 2749.35 g/mol. Its IUPAC name is 3-[1-(3H-benzimidazol-5-yl)-4-phenylpiperazin-2-yl]propanamide;2-[3-(2H-benzotriazol-4-ylmethyl)-5-benzylimidazol-4-yl]acetamide;2-[5-benzyl-3-(1H-indazol-4-ylmethyl)imidazol-4-yl]acetamide;1-[5-benzyl-3-(1H-indazol-5-ylmethyl)imidazol-4-yl]propan-2-one;1-[3-(1H-indazol-4-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;1-[3-(1H-indazol-5-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;3-[1-(1H-indazol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(1H-indazol-5-yl)-4-phenylpiperazin-2-yl]propanamide.

Molecular Properties

Compound Name3-[1-(3H-benzimidazol-5-yl)-4-phenylpiperazin-2-yl]propanamide;2-[3-(2H-benzotriazol-4-ylmethyl)-5-benzylimidazol-4-yl]acetamide;2-[5-benzyl-3-(1H-indazol-4-ylmethyl)imidazol-4-yl]acetamide;1-[5-benzyl-3-(1H-indazol-5-ylmethyl)imidazol-4-yl]propan-2-one;1-[3-(1H-indazol-4-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;1-[3-(1H-indazol-5-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;3-[1-(1H-indazol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(1H-indazol-5-yl)-4-phenylpiperazin-2-yl]propanamide
PubChem CID158679512
Molecular FormulaC160H166N38O8
Molecular Weight2749.35 g/mol
Exact Mass2747.38
IUPAC Name3-[1-(3H-benzimidazol-5-yl)-4-phenylpiperazin-2-yl]propanamide;2-[3-(2H-benzotriazol-4-ylmethyl)-5-benzylimidazol-4-yl]acetamide;2-[5-benzyl-3-(1H-indazol-4-ylmethyl)imidazol-4-yl]acetamide;1-[5-benzyl-3-(1H-indazol-5-ylmethyl)imidazol-4-yl]propan-2-one;1-[3-(1H-indazol-4-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;1-[3-(1H-indazol-5-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;3-[1-(1H-indazol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(1H-indazol-5-yl)-4-phenylpiperazin-2-yl]propanamide
SMILESCC(=O)Cc1c(Cc2ccccc2)ncn1Cc1ccc2[nH]ncc2c1.CC(O)Cc1c(-c2ccccc2)ncn1Cc1ccc2[nH]ncc2c1.CC(O)Cc1c(-c2ccccc2)ncn1Cc1cccc2[nH]ncc12.NC(=O)CCC1CN(c2ccccc2)CCN1c1ccc2[nH]ncc2c1.NC(=O)CCC1CN(c2ccccc2)CCN1c1ccc2nc[nH]c2c1.NC(=O)CCC1CN(c2ccccc2)CCN1c1cccc2[nH]ncc12.NC(=O)Cc1c(Cc2ccccc2)ncn1Cc1cccc2[nH]ncc12.NC(=O)Cc1c(Cc2ccccc2)ncn1Cc1cccc2n[nH]nc12
InChIInChI=1S/C21H20N4O.C20H19N5O.3C20H23N5O.2C20H20N4O.C19H18N6O/c1-15(26)9-21-20(11-16-5-3-2-4-6-16)22-14-25(21)13-17-7-8-19-18(10-17)12-23-24-19;21-20(26)10-19-18(9-14-5-2-1-3-6-14)22-13-25(19)12-15-7-4-8-17-16(15)11-23-24-17;21-20(26)10-9-16-14-24(15-5-2-1-3-6-15)11-12-25(16)19-8-4-7-18-17(19)13-22-23-18;21-20(26)9-7-18-14-24(16-4-2-1-3-5-16)10-11-25(18)17-6-8-19-15(12-17)13-22-23-19;21-20(26)9-7-17-13-24(15-4-2-1-3-5-15)10-11-25(17)16-6-8-18-19(12-16)23-14-22-18;1-14(25)10-19-20(15-6-3-2-4-7-15)21-13-24(19)12-16-8-5-9-18-17(16)11-22-23-18;1-14(25)9-19-20(16-5-3-2-4-6-16)21-13-24(19)12-15-7-8-18-17(10-15)11-22-23-18;20-18(26)10-17-16(9-13-5-2-1-3-6-13)21-12-25(17)11-14-7-4-8-15-19(14)23-24-22-15/h2-8,10,12,14H,9,11,13H2,1H3,(H,23,24);1-8,11,13H,9-10,12H2,(H2,21,26)(H,23,24);1-8,13,16H,9-12,14H2,(H2,21,26)(H,22,23);1-6,8,12-13,18H,7,9-11,14H2,(H2,21,26)(H,22,23);1-6,8,12,14,17H,7,9-11,13H2,(H2,21,26)(H,22,23);2-9,11,13-14,25H,10,12H2,1H3,(H,22,23);2-8,10-11,13-14,25H,9,12H2,1H3,(H,22,23);1-8,12H,9-11H2,(H2,20,26)(H,22,23,24)
InChIKeyIEYBJGHGTFVNSY-UHFFFAOYSA-N
XLogP22.14
TPSA623.85 Ų
H-Bond Donors15
H-Bond Acceptors33
Rotatable Bonds43
Heavy Atoms206
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002749.35
LogP ≤ 522.14
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1033

Analyze 3-[1-(3H-benzimidazol-5-yl)-4-phenylpiperazin-2-yl]propanamide;2-[3-(2H-benzotriazol-4-ylmethyl)-5-benzylimidazol-4-yl]acetamide;2-[5-benzyl-3-(1H-indazol-4-ylmethyl)imidazol-4-yl]acetamide;1-[5-benzyl-3-(1H-indazol-5-ylmethyl)imidazol-4-yl]propan-2-one;1-[3-(1H-indazol-4-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;1-[3-(1H-indazol-5-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;3-[1-(1H-indazol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(1H-indazol-5-yl)-4-phenylpiperazin-2-yl]propanamide with MolForge

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Launch Full Analysis

Related Compounds

2-[5-[[3-[4-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]indazol-1-yl]phenyl]methyl]-3-(1H-indazol-5-ylmethyl)imidazol-4-yl]acetamide
CID 139337759
N-[5-[3-[7-[3-[2-amino-3-[7-(4-hydroxycyclohexyl)-3H-imidazo[4,5-c]pyridine-2-carboximidoyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]phenyl]-4-hydroxycyclohexyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide
CID 145650615
3-[5-[[5-(2-amino-2-oxoethyl)-1-(1H-indazol-4-ylmethyl)imidazol-4-yl]-phenylmethyl]-1-(3H-benzimidazol-5-yl)-4-phenylpiperazin-2-yl]propanamide
CID 155051545
(2S)-3-methoxy-2-(3-methylphenyl)-1-[3-[2-[6-[(2S)-1-oxo-1-[3-[2-[6-[(2R)-1-oxo-1-(3-pyridin-4-yl-1,7-dihydroimidazo[4,5-f]indazol-6-yl)propan-2-yl]-2-pyridinyl]-4-pyridinyl]-1,7-dihydroimidazo[4,5-f]indazol-6-yl]propan-2-yl]-2-pyridinyl]-4-pyridinyl]-1,7-dihydroimidazo[4,5-f]indazol-6-yl]propan-1-one
CID 155073626
N-[5-[3-[7-(4-hydroxycyclohexyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[7-(4-hydroxycyclohexyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide;N-[5-[3-[7-(4-hydroxycyclohexyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide;1-[[5-[3-[7-(4-hydroxypiperidin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]piperidin-4-ol;methane;1-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]piperidin-4-ol
CID 157090315
6-tert-butyl-1H-benzimidazole;7-tert-butyl-2,3-dihydroisoquinoline-1,4-dione;7-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;6-tert-butyl-4-hydroxy-1H-quinolin-2-one;7-tert-butyl-4-hydroxy-1H-quinolin-2-one;6-tert-butyl-1H-indazol-3-amine;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;5-tert-butyl-1H-indole-3-carboxamide;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline
CID 157205753
2-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]ethanol;9-ethyl-3-[5-(2-ethyl-3H-benzimidazol-5-yl)pyrazol-1-yl]carbazole;9-ethyl-3-[5-(2-methyl-1H-indol-5-yl)pyrazol-1-yl]carbazole;9-ethyl-3-[5-[4-(2-piperazin-1-ylethyl)phenyl]pyrazol-1-yl]carbazole;9-ethyl-3-(5-pyridin-4-ylpyrazol-1-yl)carbazole
CID 157249175
1-[3-[(3-aminophenyl)methyl]-5-phenylimidazol-4-yl]propan-2-ol;3-[[5-(2-aminoprop-2-enyl)-4-benzylimidazol-1-yl]methyl]aniline;3-[[5-(2-aminoprop-2-enyl)-4-benzylimidazol-1-yl]methyl]-N-isocyanoaniline;1-[3-[[3-(2-aminoprop-2-enyl)phenyl]methyl]-5-phenylimidazol-4-yl]propan-2-ol;2-[5-benzyl-3-[[3-(carbamoylamino)phenyl]methyl]imidazol-4-yl]acetamide;3-[1-[3-(carbamoylamino)phenyl]-4-phenylpiperazin-2-yl]propanamide;3-[1-[3-(cyanoamino)phenyl]-4-phenylpiperazin-2-yl]propanamide;1-[3-[(3-ethylphenyl)methyl]-5-phenylimidazol-4-yl]propan-2-ol
CID 157330257
N-[5-[3-[7-[3-[(dimethylamino)methyl]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide;N-[5-[3-[7-(4-hydroxycyclohexyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;3-methyl-N-[5-[3-(7-piperazin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;2-methyl-N-[5-[3-(7-piperazin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide;N-[5-[3-(7-piperazin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide
CID 157348149
6-tert-butyl-1H-benzimidazole;7-tert-butyl-2,3-dihydroisoquinoline-1,4-dione;7-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;6-tert-butyl-4-hydroxy-1H-quinolin-2-one;7-tert-butyl-4-hydroxy-1H-quinolin-2-one;6-tert-butyl-1H-indazol-3-amine;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;5-tert-butyl-1H-indole-3-carboxamide;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;methane
CID 157483724
2-[3-(2H-benzotriazol-4-ylmethyl)-5-benzylimidazol-4-yl]acetamide;1-[3-(2H-benzotriazol-4-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;3-[1-(2H-benzotriazol-4-yl)-4-phenylpiperazin-2-yl]propanamide;2-[5-benzyl-3-(1H-indazol-5-ylmethyl)imidazol-4-yl]acetamide;1-[3-(1H-indazol-4-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;1-[3-(1H-indazol-5-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;3-[1-(1H-indazol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(1H-indazol-5-yl)-4-phenylpiperazin-2-yl]propanamide
CID 157541279
2-(ethylcarbamoylamino)-N-(2-hydroxyethyl)-6-pyridin-3-yl-1H-benzimidazole-4-carboxamide;1-ethyl-3-[4-[2-(5-methyl-1H-pyrazol-3-yl)acetyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(piperidine-1-carbonyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-(4-propanoyl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea
CID 157561528

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3H-benzimidazol-5-yl)-4-phenylpiperazin-2-yl]propanamide;2-[3-(2H-benzotriazol-4-ylmethyl)-5-benzylimidazol-4-yl]acetamide;2-[5-benzyl-3-(1H-indazol-4-ylmethyl)imidazol-4-yl]acetamide;1-[5-benzyl-3-(1H-indazol-5-ylmethyl)imidazol-4-yl]propan-2-one;1-[3-(1H-indazol-4-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;1-[3-(1H-indazol-5-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;3-[1-(1H-indazol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(1H-indazol-5-yl)-4-phenylpiperazin-2-yl]propanamide?
The IUPAC name of 3-[1-(3H-benzimidazol-5-yl)-4-phenylpiperazin-2-yl]propanamide;2-[3-(2H-benzotriazol-4-ylmethyl)-5-benzylimidazol-4-yl]acetamide;2-[5-benzyl-3-(1H-indazol-4-ylmethyl)imidazol-4-yl]acetamide;1-[5-benzyl-3-(1H-indazol-5-ylmethyl)imidazol-4-yl]propan-2-one;1-[3-(1H-indazol-4-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;1-[3-(1H-indazol-5-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;3-[1-(1H-indazol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(1H-indazol-5-yl)-4-phenylpiperazin-2-yl]propanamide (CID 158679512) is 3-[1-(3H-benzimidazol-5-yl)-4-phenylpiperazin-2-yl]propanamide;2-[3-(2H-benzotriazol-4-ylmethyl)-5-benzylimidazol-4-yl]acetamide;2-[5-benzyl-3-(1H-indazol-4-ylmethyl)imidazol-4-yl]acetamide;1-[5-benzyl-3-(1H-indazol-5-ylmethyl)imidazol-4-yl]propan-2-one;1-[3-(1H-indazol-4-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;1-[3-(1H-indazol-5-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;3-[1-(1H-indazol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(1H-indazol-5-yl)-4-phenylpiperazin-2-yl]propanamide.
What is the SMILES notation for 3-[1-(3H-benzimidazol-5-yl)-4-phenylpiperazin-2-yl]propanamide;2-[3-(2H-benzotriazol-4-ylmethyl)-5-benzylimidazol-4-yl]acetamide;2-[5-benzyl-3-(1H-indazol-4-ylmethyl)imidazol-4-yl]acetamide;1-[5-benzyl-3-(1H-indazol-5-ylmethyl)imidazol-4-yl]propan-2-one;1-[3-(1H-indazol-4-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;1-[3-(1H-indazol-5-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;3-[1-(1H-indazol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(1H-indazol-5-yl)-4-phenylpiperazin-2-yl]propanamide?
The canonical SMILES for 3-[1-(3H-benzimidazol-5-yl)-4-phenylpiperazin-2-yl]propanamide;2-[3-(2H-benzotriazol-4-ylmethyl)-5-benzylimidazol-4-yl]acetamide;2-[5-benzyl-3-(1H-indazol-4-ylmethyl)imidazol-4-yl]acetamide;1-[5-benzyl-3-(1H-indazol-5-ylmethyl)imidazol-4-yl]propan-2-one;1-[3-(1H-indazol-4-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;1-[3-(1H-indazol-5-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;3-[1-(1H-indazol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(1H-indazol-5-yl)-4-phenylpiperazin-2-yl]propanamide is CC(=O)Cc1c(Cc2ccccc2)ncn1Cc1ccc2[nH]ncc2c1.CC(O)Cc1c(-c2ccccc2)ncn1Cc1ccc2[nH]ncc2c1.CC(O)Cc1c(-c2ccccc2)ncn1Cc1cccc2[nH]ncc12.NC(=O)CCC1CN(c2ccccc2)CCN1c1ccc2[nH]ncc2c1.NC(=O)CCC1CN(c2ccccc2)CCN1c1ccc2nc[nH]c2c1.NC(=O)CCC1CN(c2ccccc2)CCN1c1cccc2[nH]ncc12.NC(=O)Cc1c(Cc2ccccc2)ncn1Cc1cccc2[nH]ncc12.NC(=O)Cc1c(Cc2ccccc2)ncn1Cc1cccc2n[nH]nc12.
What is the InChIKey of 3-[1-(3H-benzimidazol-5-yl)-4-phenylpiperazin-2-yl]propanamide;2-[3-(2H-benzotriazol-4-ylmethyl)-5-benzylimidazol-4-yl]acetamide;2-[5-benzyl-3-(1H-indazol-4-ylmethyl)imidazol-4-yl]acetamide;1-[5-benzyl-3-(1H-indazol-5-ylmethyl)imidazol-4-yl]propan-2-one;1-[3-(1H-indazol-4-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;1-[3-(1H-indazol-5-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;3-[1-(1H-indazol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(1H-indazol-5-yl)-4-phenylpiperazin-2-yl]propanamide?
The InChIKey is IEYBJGHGTFVNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O.C20H19N5O.3C20H23N5O.2C20H20N4O.C19H18N6O/c1-15(26)9-21-20(11-16-5-3-2-4-6-16)22-14-25(21)13-17-7-8-19-18(10-17)12-23-24-19;21-20(26)10-19-18(9-14-5-2-1-3-6-14)22-13-25(19)12-15-7-4-8-17-16(15)11-23-24-17;21-20(26)10-9-16-14-24(15-5-2-1-3-6-15)11-12-25(16)19-8-4-7-18-17(19)13-22-23-18;21-20(26)9-7-18-14-24(16-4-2-1-3-5-16)10-11-25(18)17-6-8-19-15(12-17)13-22-23-19;21-20(26)9-7-17-13-24(15-4-2-1-3-5-15)10-11-25(17)16-6-8-18-19(12-16)23-14-22-18;1-14(25)10-19-20(15-6-3-2-4-7-15)21-13-24(19)12-16-8-5-9-18-17(16)11-22-23-18;1-14(25)9-19-20(16-5-3-2-4-6-16)21-13-24(19)12-15-7-8-18-17(10-15)11-22-23-18;20-18(26)10-17-16(9-13-5-2-1-3-6-13)21-12-25(17)11-14-7-4-8-15-19(14)23-24-22-15/h2-8,10,12,14H,9,11,13H2,1H3,(H,23,24);1-8,11,13H,9-10,12H2,(H2,21,26)(H,23,24);1-8,13,16H,9-12,14H2,(H2,21,26)(H,22,23);1-6,8,12-13,18H,7,9-11,14H2,(H2,21,26)(H,22,23);1-6,8,12,14,17H,7,9-11,13H2,(H2,21,26)(H,22,23);2-9,11,13-14,25H,10,12H2,1H3,(H,22,23);2-8,10-11,13-14,25H,9,12H2,1H3,(H,22,23);1-8,12H,9-11H2,(H2,20,26)(H,22,23,24).
What are the key properties of 3-[1-(3H-benzimidazol-5-yl)-4-phenylpiperazin-2-yl]propanamide;2-[3-(2H-benzotriazol-4-ylmethyl)-5-benzylimidazol-4-yl]acetamide;2-[5-benzyl-3-(1H-indazol-4-ylmethyl)imidazol-4-yl]acetamide;1-[5-benzyl-3-(1H-indazol-5-ylmethyl)imidazol-4-yl]propan-2-one;1-[3-(1H-indazol-4-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;1-[3-(1H-indazol-5-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;3-[1-(1H-indazol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(1H-indazol-5-yl)-4-phenylpiperazin-2-yl]propanamide?
3-[1-(3H-benzimidazol-5-yl)-4-phenylpiperazin-2-yl]propanamide;2-[3-(2H-benzotriazol-4-ylmethyl)-5-benzylimidazol-4-yl]acetamide;2-[5-benzyl-3-(1H-indazol-4-ylmethyl)imidazol-4-yl]acetamide;1-[5-benzyl-3-(1H-indazol-5-ylmethyl)imidazol-4-yl]propan-2-one;1-[3-(1H-indazol-4-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;1-[3-(1H-indazol-5-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;3-[1-(1H-indazol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(1H-indazol-5-yl)-4-phenylpiperazin-2-yl]propanamide has a molecular weight of 2749.35 g/mol, XLogP of 22.14, 43 rotatable bonds, 15 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3H-benzimidazol-5-yl)-4-phenylpiperazin-2-yl]propanamide;2-[3-(2H-benzotriazol-4-ylmethyl)-5-benzylimidazol-4-yl]acetamide;2-[5-benzyl-3-(1H-indazol-4-ylmethyl)imidazol-4-yl]acetamide;1-[5-benzyl-3-(1H-indazol-5-ylmethyl)imidazol-4-yl]propan-2-one;1-[3-(1H-indazol-4-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;1-[3-(1H-indazol-5-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;3-[1-(1H-indazol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(1H-indazol-5-yl)-4-phenylpiperazin-2-yl]propanamide is sourced from PubChem (CID 158679512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).