6-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-3-cyclopentyl-1H-benzimidazol-2-one

C23H26N4O2 — CID 120747294

IUPAC6-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-3-cyclopentyl-1H-benzimidazol-2-one
SMILESN[C@@H]1CN(C(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)C[C@H]1c1ccccc1
InChIInChI=1S/C23H26N4O2/c24-19-14-26(13-18(19)15-6-2-1-3-7-15)22(28)16-10-11-21-20(12-16)25-23(29)27(21)17-8-4-5-9-17/h1-3,6-7,10-12,17-19H,4-5,8-9,13-14,24H2,(H,25,29)/t18-,19+/m0/s1
InChIKeyGJNGJRKARDRJSW-RBUKOAKNSA-N
MW390.49 g/mol
LogP3.01
Rot. Bonds3

About 6-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-3-cyclopentyl-1H-benzimidazol-2-one

6-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-3-cyclopentyl-1H-benzimidazol-2-one (PubChem CID 120747294) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 6-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-3-cyclopentyl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-3-cyclopentyl-1H-benzimidazol-2-one
PubChem CID120747294
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name6-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-3-cyclopentyl-1H-benzimidazol-2-one
SMILESN[C@@H]1CN(C(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)C[C@H]1c1ccccc1
InChIInChI=1S/C23H26N4O2/c24-19-14-26(13-18(19)15-6-2-1-3-7-15)22(28)16-10-11-21-20(12-16)25-23(29)27(21)17-8-4-5-9-17/h1-3,6-7,10-12,17-19H,4-5,8-9,13-14,24H2,(H,25,29)/t18-,19+/m0/s1
InChIKeyGJNGJRKARDRJSW-RBUKOAKNSA-N
XLogP3.01
TPSA84.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[3-(aminomethyl)pyrrolidine-1-carbonyl]-3-cyclopentyl-1H-benzimidazol-2-one
CID 119486752
3-cyclopentyl-6-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1H-benzimidazol-2-one
CID 119638825
3-(4-hydroxycyclohexyl)-6-(4-phenylpiperidine-1-carbonyl)-1H-benzimidazol-2-one
CID 119074354
3-cyclopentyl-6-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-benzimidazol-2-one
CID 119398391
3-cyclopentyl-6-(4-imidazol-1-ylpiperidine-1-carbonyl)-1H-benzimidazol-2-one
CID 138993159
1-(1-cyclopropyl-2-oxo-3H-benzimidazole-5-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 136552219
N,1-dicyclohexyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 3232123
1-[4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]phenyl]ethanone;hydrochloride
CID 120746934
cis-(1R,3S)-3-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120678804
5-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-3-bromo-1H-pyridin-2-one
CID 120748398
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(3-chloro-4-methylphenyl)methanone;hydrochloride
CID 120749127
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(1,3-benzodioxol-5-yl)methanone;hydrochloride
CID 120748221

Frequently Asked Questions

What is the IUPAC name of 6-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-3-cyclopentyl-1H-benzimidazol-2-one?
The IUPAC name of 6-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-3-cyclopentyl-1H-benzimidazol-2-one (CID 120747294) is 6-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-3-cyclopentyl-1H-benzimidazol-2-one.
What is the SMILES notation for 6-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-3-cyclopentyl-1H-benzimidazol-2-one?
The canonical SMILES for 6-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-3-cyclopentyl-1H-benzimidazol-2-one is N[C@@H]1CN(C(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)C[C@H]1c1ccccc1.
What is the InChIKey of 6-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-3-cyclopentyl-1H-benzimidazol-2-one?
The InChIKey is GJNGJRKARDRJSW-RBUKOAKNSA-N. The full InChI is InChI=1S/C23H26N4O2/c24-19-14-26(13-18(19)15-6-2-1-3-7-15)22(28)16-10-11-21-20(12-16)25-23(29)27(21)17-8-4-5-9-17/h1-3,6-7,10-12,17-19H,4-5,8-9,13-14,24H2,(H,25,29)/t18-,19+/m0/s1.
What are the key properties of 6-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-3-cyclopentyl-1H-benzimidazol-2-one?
6-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-3-cyclopentyl-1H-benzimidazol-2-one has a molecular weight of 390.49 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-3-cyclopentyl-1H-benzimidazol-2-one is sourced from PubChem (CID 120747294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).