4-[[5-(2-aminoprop-2-enyl)-4-benzylimidazol-1-yl]methyl]-1,3-dihydroinden-2-one;4-[[5-(2-aminoprop-2-enyl)-4-benzylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;5-[[5-(2-aminoprop-2-enyl)-4-benzylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;4-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;5-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;3-[1-(2-oxo-1,3-dihydroindol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-1,3-dihydroindol-5-yl)-4-phenylpiperazin-2-yl]propanamide

C151H157N25O11 — CID 158199739

IUPAC4-[[5-(2-aminoprop-2-enyl)-4-benzylimidazol-1-yl]methyl]-1,3-dihydroinden-2-one;4-[[5-(2-aminoprop-2-enyl)-4-benzylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;5-[[5-(2-aminoprop-2-enyl)-4-benzylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;4-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;5-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;3-[1-(2-oxo-1,3-dihydroindol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-1,3-dihydroindol-5-yl)-4-phenylpiperazin-2-yl]propanamide
SMILESC=C(N)Cc1c(Cc2ccccc2)ncn1Cc1ccc2c(c1)CC(=O)N2.C=C(N)Cc1c(Cc2ccccc2)ncn1Cc1cccc2c1CC(=O)C2.C=C(N)Cc1c(Cc2ccccc2)ncn1Cc1cccc2c1CC(=O)N2.CC(O)Cc1c(-c2ccccc2)ncn1Cc1ccc2c(c1)CC(=O)N2.CC(O)Cc1c(-c2ccccc2)ncn1Cc1cccc2c1CC(=O)N2.NC(=O)CCC1CN(c2ccccc2)CCN1c1ccc2c(c1)CC(=O)N2.NC(=O)CCC1CN(c2ccccc2)CCN1c1cccc2c1CC(=O)N2
InChIInChI=1S/C23H23N3O.2C22H22N4O.2C21H24N4O2.2C21H21N3O2/c1-16(24)10-23-22(11-17-6-3-2-4-7-17)25-15-26(23)14-19-9-5-8-18-12-20(27)13-21(18)19;1-15(23)10-21-20(11-16-6-3-2-4-7-16)24-14-26(21)13-17-8-5-9-19-18(17)12-22(27)25-19;1-15(23)9-21-20(11-16-5-3-2-4-6-16)24-14-26(21)13-17-7-8-19-18(10-17)12-22(27)25-19;22-20(26)10-9-16-14-24(15-5-2-1-3-6-15)11-12-25(16)19-8-4-7-18-17(19)13-21(27)23-18;22-20(26)9-7-18-14-24(16-4-2-1-3-5-16)10-11-25(18)17-6-8-19-15(12-17)13-21(27)23-19;1-14(25)10-19-21(15-6-3-2-4-7-15)22-13-24(19)12-16-8-5-9-18-17(16)11-20(26)23-18;1-14(25)9-19-21(16-5-3-2-4-6-16)22-13-24(19)12-15-7-8-18-17(10-15)11-20(26)23-18/h2-9,15H,1,10-14,24H2;2-9,14H,1,10-13,23H2,(H,25,27);2-8,10,14H,1,9,11-13,23H2,(H,25,27);1-8,16H,9-14H2,(H2,22,26)(H,23,27);1-6,8,12,18H,7,9-11,13-14H2,(H2,22,26)(H,23,27);2-9,13-14,25H,10-12H2,1H3,(H,23,26);2-8,10,13-14,25H,9,11-12H2,1H3,(H,23,26)
InChIKeyGATZXNCNASWMIO-UHFFFAOYSA-N
MW2498.08 g/mol
LogP19.58
Rot. Bonds38

About 4-[[5-(2-aminoprop-2-enyl)-4-benzylimidazol-1-yl]methyl]-1,3-dihydroinden-2-one;4-[[5-(2-aminoprop-2-enyl)-4-benzylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;5-[[5-(2-aminoprop-2-enyl)-4-benzylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;4-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;5-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;3-[1-(2-oxo-1,3-dihydroindol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-1,3-dihydroindol-5-yl)-4-phenylpiperazin-2-yl]propanamide

4-[[5-(2-aminoprop-2-enyl)-4-benzylimidazol-1-yl]methyl]-1,3-dihydroinden-2-one;4-[[5-(2-aminoprop-2-enyl)-4-benzylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;5-[[5-(2-aminoprop-2-enyl)-4-benzylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;4-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;5-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;3-[1-(2-oxo-1,3-dihydroindol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-1,3-dihydroindol-5-yl)-4-phenylpiperazin-2-yl]propanamide (PubChem CID 158199739) has the molecular formula C151H157N25O11 and a molecular weight of 2498.08 g/mol. Its IUPAC name is 4-[[5-(2-aminoprop-2-enyl)-4-benzylimidazol-1-yl]methyl]-1,3-dihydroinden-2-one;4-[[5-(2-aminoprop-2-enyl)-4-benzylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;5-[[5-(2-aminoprop-2-enyl)-4-benzylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;4-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;5-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;3-[1-(2-oxo-1,3-dihydroindol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-1,3-dihydroindol-5-yl)-4-phenylpiperazin-2-yl]propanamide.

Molecular Properties

Compound Name4-[[5-(2-aminoprop-2-enyl)-4-benzylimidazol-1-yl]methyl]-1,3-dihydroinden-2-one;4-[[5-(2-aminoprop-2-enyl)-4-benzylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;5-[[5-(2-aminoprop-2-enyl)-4-benzylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;4-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;5-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;3-[1-(2-oxo-1,3-dihydroindol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-1,3-dihydroindol-5-yl)-4-phenylpiperazin-2-yl]propanamide
PubChem CID158199739
Molecular FormulaC151H157N25O11
Molecular Weight2498.08 g/mol
Exact Mass2496.25
IUPAC Name4-[[5-(2-aminoprop-2-enyl)-4-benzylimidazol-1-yl]methyl]-1,3-dihydroinden-2-one;4-[[5-(2-aminoprop-2-enyl)-4-benzylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;5-[[5-(2-aminoprop-2-enyl)-4-benzylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;4-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;5-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;3-[1-(2-oxo-1,3-dihydroindol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-1,3-dihydroindol-5-yl)-4-phenylpiperazin-2-yl]propanamide
SMILESC=C(N)Cc1c(Cc2ccccc2)ncn1Cc1ccc2c(c1)CC(=O)N2.C=C(N)Cc1c(Cc2ccccc2)ncn1Cc1cccc2c1CC(=O)C2.C=C(N)Cc1c(Cc2ccccc2)ncn1Cc1cccc2c1CC(=O)N2.CC(O)Cc1c(-c2ccccc2)ncn1Cc1ccc2c(c1)CC(=O)N2.CC(O)Cc1c(-c2ccccc2)ncn1Cc1cccc2c1CC(=O)N2.NC(=O)CCC1CN(c2ccccc2)CCN1c1ccc2c(c1)CC(=O)N2.NC(=O)CCC1CN(c2ccccc2)CCN1c1cccc2c1CC(=O)N2
InChIInChI=1S/C23H23N3O.2C22H22N4O.2C21H24N4O2.2C21H21N3O2/c1-16(24)10-23-22(11-17-6-3-2-4-7-17)25-15-26(23)14-19-9-5-8-18-12-20(27)13-21(18)19;1-15(23)10-21-20(11-16-6-3-2-4-7-16)24-14-26(21)13-17-8-5-9-19-18(17)12-22(27)25-19;1-15(23)9-21-20(11-16-5-3-2-4-6-16)24-14-26(21)13-17-7-8-19-18(10-17)12-22(27)25-19;22-20(26)10-9-16-14-24(15-5-2-1-3-6-15)11-12-25(16)19-8-4-7-18-17(19)13-21(27)23-18;22-20(26)9-7-18-14-24(16-4-2-1-3-5-16)10-11-25(18)17-6-8-19-15(12-17)13-21(27)23-19;1-14(25)10-19-21(15-6-3-2-4-7-15)22-13-24(19)12-16-8-5-9-18-17(16)11-20(26)23-18;1-14(25)9-19-21(16-5-3-2-4-6-16)22-13-24(19)12-15-7-8-18-17(10-15)11-20(26)23-18/h2-9,15H,1,10-14,24H2;2-9,14H,1,10-13,23H2,(H,25,27);2-8,10,14H,1,9,11-13,23H2,(H,25,27);1-8,16H,9-14H2,(H2,22,26)(H,23,27);1-6,8,12,18H,7,9-11,13-14H2,(H2,22,26)(H,23,27);2-9,13-14,25H,10-12H2,1H3,(H,23,26);2-8,10,13-14,25H,9,11-12H2,1H3,(H,23,26)
InChIKeyGATZXNCNASWMIO-UHFFFAOYSA-N
XLogP19.58
TPSA498.43 Ų
H-Bond Donors13
H-Bond Acceptors28
Rotatable Bonds38
Heavy Atoms187
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002498.08
LogP ≤ 519.58
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1028

Analyze 4-[[5-(2-aminoprop-2-enyl)-4-benzylimidazol-1-yl]methyl]-1,3-dihydroinden-2-one;4-[[5-(2-aminoprop-2-enyl)-4-benzylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;5-[[5-(2-aminoprop-2-enyl)-4-benzylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;4-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;5-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;3-[1-(2-oxo-1,3-dihydroindol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-1,3-dihydroindol-5-yl)-4-phenylpiperazin-2-yl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(2-aminoprop-2-enyl)-4-benzylimidazol-1-yl]methyl]-1,3-dihydroinden-2-one;4-[[5-(2-aminoprop-2-enyl)-4-benzylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;5-[[5-(2-aminoprop-2-enyl)-4-benzylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;4-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;5-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;3-[1-(2-oxo-1,3-dihydroindol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-1,3-dihydroindol-5-yl)-4-phenylpiperazin-2-yl]propanamide?
The IUPAC name of 4-[[5-(2-aminoprop-2-enyl)-4-benzylimidazol-1-yl]methyl]-1,3-dihydroinden-2-one;4-[[5-(2-aminoprop-2-enyl)-4-benzylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;5-[[5-(2-aminoprop-2-enyl)-4-benzylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;4-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;5-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;3-[1-(2-oxo-1,3-dihydroindol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-1,3-dihydroindol-5-yl)-4-phenylpiperazin-2-yl]propanamide (CID 158199739) is 4-[[5-(2-aminoprop-2-enyl)-4-benzylimidazol-1-yl]methyl]-1,3-dihydroinden-2-one;4-[[5-(2-aminoprop-2-enyl)-4-benzylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;5-[[5-(2-aminoprop-2-enyl)-4-benzylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;4-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;5-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;3-[1-(2-oxo-1,3-dihydroindol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-1,3-dihydroindol-5-yl)-4-phenylpiperazin-2-yl]propanamide.
What is the SMILES notation for 4-[[5-(2-aminoprop-2-enyl)-4-benzylimidazol-1-yl]methyl]-1,3-dihydroinden-2-one;4-[[5-(2-aminoprop-2-enyl)-4-benzylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;5-[[5-(2-aminoprop-2-enyl)-4-benzylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;4-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;5-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;3-[1-(2-oxo-1,3-dihydroindol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-1,3-dihydroindol-5-yl)-4-phenylpiperazin-2-yl]propanamide?
The canonical SMILES for 4-[[5-(2-aminoprop-2-enyl)-4-benzylimidazol-1-yl]methyl]-1,3-dihydroinden-2-one;4-[[5-(2-aminoprop-2-enyl)-4-benzylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;5-[[5-(2-aminoprop-2-enyl)-4-benzylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;4-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;5-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;3-[1-(2-oxo-1,3-dihydroindol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-1,3-dihydroindol-5-yl)-4-phenylpiperazin-2-yl]propanamide is C=C(N)Cc1c(Cc2ccccc2)ncn1Cc1ccc2c(c1)CC(=O)N2.C=C(N)Cc1c(Cc2ccccc2)ncn1Cc1cccc2c1CC(=O)C2.C=C(N)Cc1c(Cc2ccccc2)ncn1Cc1cccc2c1CC(=O)N2.CC(O)Cc1c(-c2ccccc2)ncn1Cc1ccc2c(c1)CC(=O)N2.CC(O)Cc1c(-c2ccccc2)ncn1Cc1cccc2c1CC(=O)N2.NC(=O)CCC1CN(c2ccccc2)CCN1c1ccc2c(c1)CC(=O)N2.NC(=O)CCC1CN(c2ccccc2)CCN1c1cccc2c1CC(=O)N2.
What is the InChIKey of 4-[[5-(2-aminoprop-2-enyl)-4-benzylimidazol-1-yl]methyl]-1,3-dihydroinden-2-one;4-[[5-(2-aminoprop-2-enyl)-4-benzylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;5-[[5-(2-aminoprop-2-enyl)-4-benzylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;4-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;5-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;3-[1-(2-oxo-1,3-dihydroindol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-1,3-dihydroindol-5-yl)-4-phenylpiperazin-2-yl]propanamide?
The InChIKey is GATZXNCNASWMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O.2C22H22N4O.2C21H24N4O2.2C21H21N3O2/c1-16(24)10-23-22(11-17-6-3-2-4-7-17)25-15-26(23)14-19-9-5-8-18-12-20(27)13-21(18)19;1-15(23)10-21-20(11-16-6-3-2-4-7-16)24-14-26(21)13-17-8-5-9-19-18(17)12-22(27)25-19;1-15(23)9-21-20(11-16-5-3-2-4-6-16)24-14-26(21)13-17-7-8-19-18(10-17)12-22(27)25-19;22-20(26)10-9-16-14-24(15-5-2-1-3-6-15)11-12-25(16)19-8-4-7-18-17(19)13-21(27)23-18;22-20(26)9-7-18-14-24(16-4-2-1-3-5-16)10-11-25(18)17-6-8-19-15(12-17)13-21(27)23-19;1-14(25)10-19-21(15-6-3-2-4-7-15)22-13-24(19)12-16-8-5-9-18-17(16)11-20(26)23-18;1-14(25)9-19-21(16-5-3-2-4-6-16)22-13-24(19)12-15-7-8-18-17(10-15)11-20(26)23-18/h2-9,15H,1,10-14,24H2;2-9,14H,1,10-13,23H2,(H,25,27);2-8,10,14H,1,9,11-13,23H2,(H,25,27);1-8,16H,9-14H2,(H2,22,26)(H,23,27);1-6,8,12,18H,7,9-11,13-14H2,(H2,22,26)(H,23,27);2-9,13-14,25H,10-12H2,1H3,(H,23,26);2-8,10,13-14,25H,9,11-12H2,1H3,(H,23,26).
What are the key properties of 4-[[5-(2-aminoprop-2-enyl)-4-benzylimidazol-1-yl]methyl]-1,3-dihydroinden-2-one;4-[[5-(2-aminoprop-2-enyl)-4-benzylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;5-[[5-(2-aminoprop-2-enyl)-4-benzylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;4-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;5-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;3-[1-(2-oxo-1,3-dihydroindol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-1,3-dihydroindol-5-yl)-4-phenylpiperazin-2-yl]propanamide?
4-[[5-(2-aminoprop-2-enyl)-4-benzylimidazol-1-yl]methyl]-1,3-dihydroinden-2-one;4-[[5-(2-aminoprop-2-enyl)-4-benzylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;5-[[5-(2-aminoprop-2-enyl)-4-benzylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;4-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;5-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;3-[1-(2-oxo-1,3-dihydroindol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-1,3-dihydroindol-5-yl)-4-phenylpiperazin-2-yl]propanamide has a molecular weight of 2498.08 g/mol, XLogP of 19.58, 38 rotatable bonds, 13 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(2-aminoprop-2-enyl)-4-benzylimidazol-1-yl]methyl]-1,3-dihydroinden-2-one;4-[[5-(2-aminoprop-2-enyl)-4-benzylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;5-[[5-(2-aminoprop-2-enyl)-4-benzylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;4-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;5-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;3-[1-(2-oxo-1,3-dihydroindol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-1,3-dihydroindol-5-yl)-4-phenylpiperazin-2-yl]propanamide is sourced from PubChem (CID 158199739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).