N-[(1S)-3-(1,3-benzodioxol-5-ylamino)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxopropyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-[1-methyl-5-(4-morpholin-4-ylphenyl)imidazol-2-yl]-2-pyridin-2-ylethyl]-1-benzofuran-2-carboxamide;N-[(1S)-1-[5-(4-imidazol-1-ylphenyl)-1-propylimidazol-2-yl]-2-phenylethyl]-1H-indole-2-carboxamide

C91H82ClN17O10 — CID 159751682

IUPACN-[(1S)-3-(1,3-benzodioxol-5-ylamino)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxopropyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-[1-methyl-5-(4-morpholin-4-ylphenyl)imidazol-2-yl]-2-pyridin-2-ylethyl]-1-benzofuran-2-carboxamide;N-[(1S)-1-[5-(4-imidazol-1-ylphenyl)-1-propylimidazol-2-yl]-2-phenylethyl]-1H-indole-2-carboxamide
SMILESCCCn1c(-c2ccc(-n3ccnc3)cc2)cnc1[C@H](Cc1ccccc1)NC(=O)c1cc2ccccc2[nH]1.Cn1c(-c2ccc(N3CCOCC3)cc2)cnc1[C@H](Cc1ccccn1)NC(=O)c1cc2cc(Cl)ccc2o1.Cn1c(-c2ccc([N+](=O)[O-])cc2)cnc1[C@H](CC(=O)Nc1ccc2c(c1)OCO2)NC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C32H30N6O.C30H28ClN5O3.C29H24N6O6/c1-2-17-38-30(24-12-14-26(15-13-24)37-18-16-33-22-37)21-34-31(38)28(19-23-8-4-3-5-9-23)36-32(39)29-20-25-10-6-7-11-27(25)35-29;1-35-26(20-5-8-24(9-6-20)36-12-14-38-15-13-36)19-33-29(35)25(18-23-4-2-3-11-32-23)34-30(37)28-17-21-16-22(31)7-10-27(21)39-28;1-34-24(17-6-9-20(10-7-17)35(38)39)15-30-28(34)22(33-29(37)23-12-18-4-2-3-5-21(18)32-23)14-27(36)31-19-8-11-25-26(13-19)41-16-40-25/h3-16,18,20-22,28,35H,2,17,19H2,1H3,(H,36,39);2-11,16-17,19,25H,12-15,18H2,1H3,(H,34,37);2-13,15,22,32H,14,16H2,1H3,(H,31,36)(H,33,37)/t28-;25-;22-/m000/s1
InChIKeyNDSPYYAVSXFSHK-ILRHPRMFSA-N
MW1609.22 g/mol
LogP16.48
Rot. Bonds24

About N-[(1S)-3-(1,3-benzodioxol-5-ylamino)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxopropyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-[1-methyl-5-(4-morpholin-4-ylphenyl)imidazol-2-yl]-2-pyridin-2-ylethyl]-1-benzofuran-2-carboxamide;N-[(1S)-1-[5-(4-imidazol-1-ylphenyl)-1-propylimidazol-2-yl]-2-phenylethyl]-1H-indole-2-carboxamide

N-[(1S)-3-(1,3-benzodioxol-5-ylamino)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxopropyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-[1-methyl-5-(4-morpholin-4-ylphenyl)imidazol-2-yl]-2-pyridin-2-ylethyl]-1-benzofuran-2-carboxamide;N-[(1S)-1-[5-(4-imidazol-1-ylphenyl)-1-propylimidazol-2-yl]-2-phenylethyl]-1H-indole-2-carboxamide (PubChem CID 159751682) has the molecular formula C91H82ClN17O10 and a molecular weight of 1609.22 g/mol. Its IUPAC name is N-[(1S)-3-(1,3-benzodioxol-5-ylamino)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxopropyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-[1-methyl-5-(4-morpholin-4-ylphenyl)imidazol-2-yl]-2-pyridin-2-ylethyl]-1-benzofuran-2-carboxamide;N-[(1S)-1-[5-(4-imidazol-1-ylphenyl)-1-propylimidazol-2-yl]-2-phenylethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-3-(1,3-benzodioxol-5-ylamino)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxopropyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-[1-methyl-5-(4-morpholin-4-ylphenyl)imidazol-2-yl]-2-pyridin-2-ylethyl]-1-benzofuran-2-carboxamide;N-[(1S)-1-[5-(4-imidazol-1-ylphenyl)-1-propylimidazol-2-yl]-2-phenylethyl]-1H-indole-2-carboxamide
PubChem CID159751682
Molecular FormulaC91H82ClN17O10
Molecular Weight1609.22 g/mol
Exact Mass1607.61
IUPAC NameN-[(1S)-3-(1,3-benzodioxol-5-ylamino)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxopropyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-[1-methyl-5-(4-morpholin-4-ylphenyl)imidazol-2-yl]-2-pyridin-2-ylethyl]-1-benzofuran-2-carboxamide;N-[(1S)-1-[5-(4-imidazol-1-ylphenyl)-1-propylimidazol-2-yl]-2-phenylethyl]-1H-indole-2-carboxamide
SMILESCCCn1c(-c2ccc(-n3ccnc3)cc2)cnc1[C@H](Cc1ccccc1)NC(=O)c1cc2ccccc2[nH]1.Cn1c(-c2ccc(N3CCOCC3)cc2)cnc1[C@H](Cc1ccccn1)NC(=O)c1cc2cc(Cl)ccc2o1.Cn1c(-c2ccc([N+](=O)[O-])cc2)cnc1[C@H](CC(=O)Nc1ccc2c(c1)OCO2)NC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C32H30N6O.C30H28ClN5O3.C29H24N6O6/c1-2-17-38-30(24-12-14-26(15-13-24)37-18-16-33-22-37)21-34-31(38)28(19-23-8-4-3-5-9-23)36-32(39)29-20-25-10-6-7-11-27(25)35-29;1-35-26(20-5-8-24(9-6-20)36-12-14-38-15-13-36)19-33-29(35)25(18-23-4-2-3-11-32-23)34-30(37)28-17-21-16-22(31)7-10-27(21)39-28;1-34-24(17-6-9-20(10-7-17)35(38)39)15-30-28(34)22(33-29(37)23-12-18-4-2-3-5-21(18)32-23)14-27(36)31-19-8-11-25-26(13-19)41-16-40-25/h3-16,18,20-22,28,35H,2,17,19H2,1H3,(H,36,39);2-11,16-17,19,25H,12-15,18H2,1H3,(H,34,37);2-13,15,22,32H,14,16H2,1H3,(H,31,36)(H,33,37)/t28-;25-;22-/m000/s1
InChIKeyNDSPYYAVSXFSHK-ILRHPRMFSA-N
XLogP16.48
TPSA319.36 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds24
Heavy Atoms119
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001609.22
LogP ≤ 516.48
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(1S)-3-(1,3-benzodioxol-5-ylamino)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxopropyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-[1-methyl-5-(4-morpholin-4-ylphenyl)imidazol-2-yl]-2-pyridin-2-ylethyl]-1-benzofuran-2-carboxamide;N-[(1S)-1-[5-(4-imidazol-1-ylphenyl)-1-propylimidazol-2-yl]-2-phenylethyl]-1H-indole-2-carboxamide with MolForge

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Related Compounds

N-[(1S)-1-[4-benzyl-5-(4-ethoxyphenyl)-1-methylimidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide;N-[(1S)-3-(4-methoxyanilino)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxopropyl]-1H-indole-2-carboxamide;N-[(1S)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxo-3-(pyridin-2-ylamino)propyl]-1H-indole-2-carboxamide
CID 159306151
N-[(1S)-3-(1,3-benzodioxol-5-ylamino)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxopropyl]-1H-indole-2-carboxamide;N-[(1S)-1-[4-benzyl-5-(4-ethoxyphenyl)-1-methylimidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide;N-[(1S)-3-(4-methoxyanilino)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxopropyl]-1H-indole-2-carboxamide;N-[(1S)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxo-3-(pyridin-2-ylamino)propyl]-1H-indole-2-carboxamide
CID 160690802
5-chloro-N-[(1S)-1-[1-methyl-5-(4-morpholin-4-ylphenyl)imidazol-2-yl]-2-pyridin-2-ylethyl]-1-benzofuran-2-carboxamide;N-[(1S)-1-[5-(4-imidazol-1-ylphenyl)-1-propylimidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide
CID 160727439

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-(1,3-benzodioxol-5-ylamino)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxopropyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-[1-methyl-5-(4-morpholin-4-ylphenyl)imidazol-2-yl]-2-pyridin-2-ylethyl]-1-benzofuran-2-carboxamide;N-[(1S)-1-[5-(4-imidazol-1-ylphenyl)-1-propylimidazol-2-yl]-2-phenylethyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[(1S)-3-(1,3-benzodioxol-5-ylamino)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxopropyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-[1-methyl-5-(4-morpholin-4-ylphenyl)imidazol-2-yl]-2-pyridin-2-ylethyl]-1-benzofuran-2-carboxamide;N-[(1S)-1-[5-(4-imidazol-1-ylphenyl)-1-propylimidazol-2-yl]-2-phenylethyl]-1H-indole-2-carboxamide (CID 159751682) is N-[(1S)-3-(1,3-benzodioxol-5-ylamino)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxopropyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-[1-methyl-5-(4-morpholin-4-ylphenyl)imidazol-2-yl]-2-pyridin-2-ylethyl]-1-benzofuran-2-carboxamide;N-[(1S)-1-[5-(4-imidazol-1-ylphenyl)-1-propylimidazol-2-yl]-2-phenylethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(1S)-3-(1,3-benzodioxol-5-ylamino)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxopropyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-[1-methyl-5-(4-morpholin-4-ylphenyl)imidazol-2-yl]-2-pyridin-2-ylethyl]-1-benzofuran-2-carboxamide;N-[(1S)-1-[5-(4-imidazol-1-ylphenyl)-1-propylimidazol-2-yl]-2-phenylethyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[(1S)-3-(1,3-benzodioxol-5-ylamino)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxopropyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-[1-methyl-5-(4-morpholin-4-ylphenyl)imidazol-2-yl]-2-pyridin-2-ylethyl]-1-benzofuran-2-carboxamide;N-[(1S)-1-[5-(4-imidazol-1-ylphenyl)-1-propylimidazol-2-yl]-2-phenylethyl]-1H-indole-2-carboxamide is CCCn1c(-c2ccc(-n3ccnc3)cc2)cnc1[C@H](Cc1ccccc1)NC(=O)c1cc2ccccc2[nH]1.Cn1c(-c2ccc(N3CCOCC3)cc2)cnc1[C@H](Cc1ccccn1)NC(=O)c1cc2cc(Cl)ccc2o1.Cn1c(-c2ccc([N+](=O)[O-])cc2)cnc1[C@H](CC(=O)Nc1ccc2c(c1)OCO2)NC(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[(1S)-3-(1,3-benzodioxol-5-ylamino)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxopropyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-[1-methyl-5-(4-morpholin-4-ylphenyl)imidazol-2-yl]-2-pyridin-2-ylethyl]-1-benzofuran-2-carboxamide;N-[(1S)-1-[5-(4-imidazol-1-ylphenyl)-1-propylimidazol-2-yl]-2-phenylethyl]-1H-indole-2-carboxamide?
The InChIKey is NDSPYYAVSXFSHK-ILRHPRMFSA-N. The full InChI is InChI=1S/C32H30N6O.C30H28ClN5O3.C29H24N6O6/c1-2-17-38-30(24-12-14-26(15-13-24)37-18-16-33-22-37)21-34-31(38)28(19-23-8-4-3-5-9-23)36-32(39)29-20-25-10-6-7-11-27(25)35-29;1-35-26(20-5-8-24(9-6-20)36-12-14-38-15-13-36)19-33-29(35)25(18-23-4-2-3-11-32-23)34-30(37)28-17-21-16-22(31)7-10-27(21)39-28;1-34-24(17-6-9-20(10-7-17)35(38)39)15-30-28(34)22(33-29(37)23-12-18-4-2-3-5-21(18)32-23)14-27(36)31-19-8-11-25-26(13-19)41-16-40-25/h3-16,18,20-22,28,35H,2,17,19H2,1H3,(H,36,39);2-11,16-17,19,25H,12-15,18H2,1H3,(H,34,37);2-13,15,22,32H,14,16H2,1H3,(H,31,36)(H,33,37)/t28-;25-;22-/m000/s1.
What are the key properties of N-[(1S)-3-(1,3-benzodioxol-5-ylamino)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxopropyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-[1-methyl-5-(4-morpholin-4-ylphenyl)imidazol-2-yl]-2-pyridin-2-ylethyl]-1-benzofuran-2-carboxamide;N-[(1S)-1-[5-(4-imidazol-1-ylphenyl)-1-propylimidazol-2-yl]-2-phenylethyl]-1H-indole-2-carboxamide?
N-[(1S)-3-(1,3-benzodioxol-5-ylamino)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxopropyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-[1-methyl-5-(4-morpholin-4-ylphenyl)imidazol-2-yl]-2-pyridin-2-ylethyl]-1-benzofuran-2-carboxamide;N-[(1S)-1-[5-(4-imidazol-1-ylphenyl)-1-propylimidazol-2-yl]-2-phenylethyl]-1H-indole-2-carboxamide has a molecular weight of 1609.22 g/mol, XLogP of 16.48, 24 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-(1,3-benzodioxol-5-ylamino)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxopropyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-[1-methyl-5-(4-morpholin-4-ylphenyl)imidazol-2-yl]-2-pyridin-2-ylethyl]-1-benzofuran-2-carboxamide;N-[(1S)-1-[5-(4-imidazol-1-ylphenyl)-1-propylimidazol-2-yl]-2-phenylethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 159751682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).