(3S)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxamide

C23H24N4O2 — CID 51935441

IUPAC(3S)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxamide
SMILESC[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)c1nc2ccccc2[nH]1
InChIInChI=1S/C23H24N4O2/c1-14(22-25-19-7-2-3-8-20(19)26-22)24-23(29)17-12-21(28)27(13-17)18-10-9-15-5-4-6-16(15)11-18/h2-3,7-11,14,17H,4-6,12-13H2,1H3,(H,24,29)(H,25,26)/t14-,17-/m0/s1
InChIKeyAZGPVYZHAQMKHD-YOEHRIQHSA-N
MW388.47 g/mol
LogP3.28
Rot. Bonds4

About (3S)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxamide

(3S)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 51935441) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is (3S)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID51935441
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name(3S)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxamide
SMILESC[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)c1nc2ccccc2[nH]1
InChIInChI=1S/C23H24N4O2/c1-14(22-25-19-7-2-3-8-20(19)26-22)24-23(29)17-12-21(28)27(13-17)18-10-9-15-5-4-6-16(15)11-18/h2-3,7-11,14,17H,4-6,12-13H2,1H3,(H,24,29)(H,25,26)/t14-,17-/m0/s1
InChIKeyAZGPVYZHAQMKHD-YOEHRIQHSA-N
XLogP3.28
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 51935439
(3S)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 39964849
(3R)-N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9115666
(3R)-N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 2447828
(3R)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 96520264
1-(2,3-dihydro-1H-inden-5-yl)-N-methylsulfonyl-5-oxopyrrolidine-3-carboxamide
CID 146154255
(3S)-1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 30838721
(3R)-N'-(cyclopropanecarbonyl)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbohydrazide
CID 51983166
N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 2999928
(3S)-N-[(1R)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 2121048
(3R)-N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 2121050
methyl (2R)-2-[[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]-3-(1H-indol-3-yl)propanoate
CID 46586392

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxamide (CID 51935441) is (3S)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxamide is C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)c1nc2ccccc2[nH]1.
What is the InChIKey of (3S)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is AZGPVYZHAQMKHD-YOEHRIQHSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-14(22-25-19-7-2-3-8-20(19)26-22)24-23(29)17-12-21(28)27(13-17)18-10-9-15-5-4-6-16(15)11-18/h2-3,7-11,14,17H,4-6,12-13H2,1H3,(H,24,29)(H,25,26)/t14-,17-/m0/s1.
What are the key properties of (3S)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxamide?
(3S)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 51935441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).