N-[3-(1H-benzimidazol-2-yl)propyl]-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide

C21H21ClN4O2 — CID 134009710

IUPACN-[3-(1H-benzimidazol-2-yl)propyl]-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCCc1nc2ccccc2[nH]1)C1CC(=O)N(c2ccccc2Cl)C1
InChIInChI=1S/C21H21ClN4O2/c22-15-6-1-4-9-18(15)26-13-14(12-20(26)27)21(28)23-11-5-10-19-24-16-7-2-3-8-17(16)25-19/h1-4,6-9,14H,5,10-13H2,(H,23,28)(H,24,25)
InChIKeyOUPVALCHWOWOJD-UHFFFAOYSA-N
MW396.88 g/mol
LogP3.32
Rot. Bonds6

About N-[3-(1H-benzimidazol-2-yl)propyl]-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide

N-[3-(1H-benzimidazol-2-yl)propyl]-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 134009710) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)propyl]-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)propyl]-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID134009710
Molecular FormulaC21H21ClN4O2
Molecular Weight396.88 g/mol
Exact Mass396.14
IUPAC NameN-[3-(1H-benzimidazol-2-yl)propyl]-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCCc1nc2ccccc2[nH]1)C1CC(=O)N(c2ccccc2Cl)C1
InChIInChI=1S/C21H21ClN4O2/c22-15-6-1-4-9-18(15)26-13-14(12-20(26)27)21(28)23-11-5-10-19-24-16-7-2-3-8-17(16)25-19/h1-4,6-9,14H,5,10-13H2,(H,23,28)(H,24,25)
InChIKeyOUPVALCHWOWOJD-UHFFFAOYSA-N
XLogP3.32
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)propyl]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 155508277
1-(2-chlorophenyl)-N-[3-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119429656
N-[3-(benzimidazol-1-yl)propyl]-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 24553343
N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 154823606
1-(2-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113187381
(3S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 94068245
(3R)-1-(2,3-dichlorophenyl)-5-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 124750267
1-(2-chlorophenyl)-N-(3-cyclohexyloxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 42920333
(3R)-N-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide
CID 125177887
1-(2,5-dichlorophenyl)-5-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 113191068
trans-(1R,2R)-N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylcyclopropane-1-carboxamide
CID 29303561
(3R)-1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 26644337

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 134009710) is N-[3-(1H-benzimidazol-2-yl)propyl]-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)propyl]-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)propyl]-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide is O=C(NCCCc1nc2ccccc2[nH]1)C1CC(=O)N(c2ccccc2Cl)C1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)propyl]-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OUPVALCHWOWOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c22-15-6-1-4-9-18(15)26-13-14(12-20(26)27)21(28)23-11-5-10-19-24-16-7-2-3-8-17(16)25-19/h1-4,6-9,14H,5,10-13H2,(H,23,28)(H,24,25).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)propyl]-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
N-[3-(1H-benzimidazol-2-yl)propyl]-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 396.88 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)propyl]-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 134009710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).