3-(2-methylbenzimidazol-1-yl)-1-(2-pyridin-2-ylpyrrolidin-1-yl)propan-1-one

C20H22N4O — CID 70770316

IUPAC3-(2-methylbenzimidazol-1-yl)-1-(2-pyridin-2-ylpyrrolidin-1-yl)propan-1-one
SMILESCc1nc2ccccc2n1CCC(=O)N1CCCC1c1ccccn1
InChIInChI=1S/C20H22N4O/c1-15-22-17-8-2-3-9-19(17)23(15)14-11-20(25)24-13-6-10-18(24)16-7-4-5-12-21-16/h2-5,7-9,12,18H,6,10-11,13-14H2,1H3
InChIKeyZXFSWHRBNZICSS-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.49
Rot. Bonds4

About 3-(2-methylbenzimidazol-1-yl)-1-(2-pyridin-2-ylpyrrolidin-1-yl)propan-1-one

3-(2-methylbenzimidazol-1-yl)-1-(2-pyridin-2-ylpyrrolidin-1-yl)propan-1-one (PubChem CID 70770316) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-(2-methylbenzimidazol-1-yl)-1-(2-pyridin-2-ylpyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(2-methylbenzimidazol-1-yl)-1-(2-pyridin-2-ylpyrrolidin-1-yl)propan-1-one
PubChem CID70770316
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name3-(2-methylbenzimidazol-1-yl)-1-(2-pyridin-2-ylpyrrolidin-1-yl)propan-1-one
SMILESCc1nc2ccccc2n1CCC(=O)N1CCCC1c1ccccn1
InChIInChI=1S/C20H22N4O/c1-15-22-17-8-2-3-9-19(17)23(15)14-11-20(25)24-13-6-10-18(24)16-7-4-5-12-21-16/h2-5,7-9,12,18H,6,10-11,13-14H2,1H3
InChIKeyZXFSWHRBNZICSS-UHFFFAOYSA-N
XLogP3.49
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(2-methylbenzimidazol-1-yl)-1-(2-pyridin-2-ylpyrrolidin-1-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-methylbenzimidazol-1-yl)-1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]propan-1-one
CID 99947323
4-(2-methylbenzimidazol-1-yl)-1-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]butan-1-one
CID 110122568
1-methyl-3-[3-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]-3-oxopropyl]benzimidazol-2-one
CID 136515688
3-(benzimidazol-1-yl)-1-[(2R)-2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]propan-1-one
CID 124957910
1-[4-(dimethylamino)azepan-1-yl]-3-(2-methylbenzimidazol-1-yl)propan-1-one
CID 56907377
2-(benzotriazol-2-yl)-1-(2-pyridin-2-ylpiperidin-1-yl)ethanone
CID 77091255
1-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 94616521
2-(dimethylamino)-1-(2-pyridin-2-ylpyrrolidin-1-yl)ethanone
CID 73440457
2-(1-methylindol-3-yl)-1-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]ethanone
CID 94811631
2-(3-methylindol-1-yl)-1-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]ethanone
CID 94363141
3-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]propan-1-one
CID 95325819
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]propan-1-one
CID 94616712

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylbenzimidazol-1-yl)-1-(2-pyridin-2-ylpyrrolidin-1-yl)propan-1-one?
The IUPAC name of 3-(2-methylbenzimidazol-1-yl)-1-(2-pyridin-2-ylpyrrolidin-1-yl)propan-1-one (CID 70770316) is 3-(2-methylbenzimidazol-1-yl)-1-(2-pyridin-2-ylpyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(2-methylbenzimidazol-1-yl)-1-(2-pyridin-2-ylpyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 3-(2-methylbenzimidazol-1-yl)-1-(2-pyridin-2-ylpyrrolidin-1-yl)propan-1-one is Cc1nc2ccccc2n1CCC(=O)N1CCCC1c1ccccn1.
What is the InChIKey of 3-(2-methylbenzimidazol-1-yl)-1-(2-pyridin-2-ylpyrrolidin-1-yl)propan-1-one?
The InChIKey is ZXFSWHRBNZICSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-15-22-17-8-2-3-9-19(17)23(15)14-11-20(25)24-13-6-10-18(24)16-7-4-5-12-21-16/h2-5,7-9,12,18H,6,10-11,13-14H2,1H3.
What are the key properties of 3-(2-methylbenzimidazol-1-yl)-1-(2-pyridin-2-ylpyrrolidin-1-yl)propan-1-one?
3-(2-methylbenzimidazol-1-yl)-1-(2-pyridin-2-ylpyrrolidin-1-yl)propan-1-one has a molecular weight of 334.42 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylbenzimidazol-1-yl)-1-(2-pyridin-2-ylpyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 70770316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).