1-methyl-3-[3-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]-3-oxopropyl]benzimidazol-2-one

C21H24N4O2 — CID 136515688

IUPAC1-methyl-3-[3-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]-3-oxopropyl]benzimidazol-2-one
SMILESCc1cccc(C2CCCN2C(=O)CCn2c(=O)n(C)c3ccccc32)n1
InChIInChI=1S/C21H24N4O2/c1-15-7-5-8-16(22-15)17-11-6-13-24(17)20(26)12-14-25-19-10-4-3-9-18(19)23(2)21(25)27/h3-5,7-10,17H,6,11-14H2,1-2H3
InChIKeyKPBVWTBBIZQQMB-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.80
Rot. Bonds4

About 1-methyl-3-[3-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]-3-oxopropyl]benzimidazol-2-one

1-methyl-3-[3-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]-3-oxopropyl]benzimidazol-2-one (PubChem CID 136515688) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-methyl-3-[3-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]-3-oxopropyl]benzimidazol-2-one.

Molecular Properties

Compound Name1-methyl-3-[3-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]-3-oxopropyl]benzimidazol-2-one
PubChem CID136515688
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name1-methyl-3-[3-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]-3-oxopropyl]benzimidazol-2-one
SMILESCc1cccc(C2CCCN2C(=O)CCn2c(=O)n(C)c3ccccc32)n1
InChIInChI=1S/C21H24N4O2/c1-15-7-5-8-16(22-15)17-11-6-13-24(17)20(26)12-14-25-19-10-4-3-9-18(19)23(2)21(25)27/h3-5,7-10,17H,6,11-14H2,1-2H3
InChIKeyKPBVWTBBIZQQMB-UHFFFAOYSA-N
XLogP2.80
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methylbenzimidazol-1-yl)-1-(2-pyridin-2-ylpyrrolidin-1-yl)propan-1-one
CID 70770316
3-(1-methylpyrazol-3-yl)-1-[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]propan-1-one
CID 164632753
(2R,3R)-2-methyl-1-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]piperidine-3-carboxylic acid
CID 122115197
1-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone
CID 102538999
3-(2-methylbenzimidazol-1-yl)-1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]propan-1-one
CID 99947323
1-[3-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-3-ethylbenzimidazol-2-one
CID 55456282
cyclobutyl-[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methanone
CID 95817448
4-(2-methylbenzimidazol-1-yl)-1-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]butan-1-one
CID 110122568
3-(benzimidazol-1-yl)-1-[(2R)-2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]propan-1-one
CID 124957910
1-[3-(3-ethoxypiperidin-1-yl)-3-oxopropyl]-3-methylbenzimidazol-2-one
CID 56819857
4,6-dimethyl-1-[3-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-3-oxopropyl]pyrimidin-2-one
CID 110265230
(2S)-N-(3-methoxypropyl)-N-methyl-2-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide
CID 99831648

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]-3-oxopropyl]benzimidazol-2-one?
The IUPAC name of 1-methyl-3-[3-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]-3-oxopropyl]benzimidazol-2-one (CID 136515688) is 1-methyl-3-[3-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]-3-oxopropyl]benzimidazol-2-one.
What is the SMILES notation for 1-methyl-3-[3-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]-3-oxopropyl]benzimidazol-2-one?
The canonical SMILES for 1-methyl-3-[3-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]-3-oxopropyl]benzimidazol-2-one is Cc1cccc(C2CCCN2C(=O)CCn2c(=O)n(C)c3ccccc32)n1.
What is the InChIKey of 1-methyl-3-[3-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]-3-oxopropyl]benzimidazol-2-one?
The InChIKey is KPBVWTBBIZQQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-15-7-5-8-16(22-15)17-11-6-13-24(17)20(26)12-14-25-19-10-4-3-9-18(19)23(2)21(25)27/h3-5,7-10,17H,6,11-14H2,1-2H3.
What are the key properties of 1-methyl-3-[3-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]-3-oxopropyl]benzimidazol-2-one?
1-methyl-3-[3-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]-3-oxopropyl]benzimidazol-2-one has a molecular weight of 364.45 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]-3-oxopropyl]benzimidazol-2-one is sourced from PubChem (CID 136515688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).