1-(cyclopropylmethyl)-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one

C16H19N3O — CID 23607619

IUPAC1-(cyclopropylmethyl)-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESCn1c(C2CC(=O)N(CC3CC3)C2)nc2ccccc21
InChIInChI=1S/C16H19N3O/c1-18-14-5-3-2-4-13(14)17-16(18)12-8-15(20)19(10-12)9-11-6-7-11/h2-5,11-12H,6-10H2,1H3
InChIKeyWSXJCEJDCZTYCM-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.30
Rot. Bonds3

About 1-(cyclopropylmethyl)-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one

1-(cyclopropylmethyl)-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one (PubChem CID 23607619) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one
PubChem CID23607619
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-(cyclopropylmethyl)-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESCn1c(C2CC(=O)N(CC3CC3)C2)nc2ccccc21
InChIInChI=1S/C16H19N3O/c1-18-14-5-3-2-4-13(14)17-16(18)12-8-15(20)19(10-12)9-11-6-7-11/h2-5,11-12H,6-10H2,1H3
InChIKeyWSXJCEJDCZTYCM-UHFFFAOYSA-N
XLogP2.30
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one
CID 43837404
(4S)-1-butyl-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one
CID 39115865
2-[4-(1-methylbenzimidazol-2-yl)-2-oxopyrrolidin-1-yl]acetamide
CID 134811588
1-[(4-methoxyphenyl)methyl]-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17005532
1-ethyl-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17002372
1-(2,6-dimethylphenyl)-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one
CID 16615470
(4S)-4-[1-(2-cyclohexylethyl)benzimidazol-2-yl]-1-ethylpyrrolidin-2-one
CID 40841216
(4S)-4-(1H-benzimidazol-2-yl)-1-(cyclopropylmethyl)pyrrolidin-2-one
CID 40713858
(4R)-1-(4-bromophenyl)-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one
CID 7136822
1-butyl-4-(1-butylbenzimidazol-2-yl)pyrrolidin-2-one
CID 16615336
3-[1-(cyclopropylmethyl)-5-oxopyrrolidin-3-yl]-2-(1-methylbenzimidazol-2-yl)-3-oxopropanenitrile
CID 78869227
4-[1-(2-ethoxyethyl)benzimidazol-2-yl]-1-ethylpyrrolidin-2-one
CID 17002489

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one (CID 23607619) is 1-(cyclopropylmethyl)-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one is Cn1c(C2CC(=O)N(CC3CC3)C2)nc2ccccc21.
What is the InChIKey of 1-(cyclopropylmethyl)-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one?
The InChIKey is WSXJCEJDCZTYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-18-14-5-3-2-4-13(14)17-16(18)12-8-15(20)19(10-12)9-11-6-7-11/h2-5,11-12H,6-10H2,1H3.
What are the key properties of 1-(cyclopropylmethyl)-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one?
1-(cyclopropylmethyl)-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one has a molecular weight of 269.35 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 23607619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).