3-(2-methylbenzimidazol-1-yl)-1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]propan-1-one

C21H24N4O — CID 99947323

IUPAC3-(2-methylbenzimidazol-1-yl)-1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]propan-1-one
SMILESCc1nc2ccccc2n1CCC(=O)N1CCCC[C@H]1c1ccccn1
InChIInChI=1S/C21H24N4O/c1-16-23-18-9-2-3-10-20(18)24(16)15-12-21(26)25-14-7-5-11-19(25)17-8-4-6-13-22-17/h2-4,6,8-10,13,19H,5,7,11-12,14-15H2,1H3/t19-/m0/s1
InChIKeyQKJDHINQOGYPJZ-IBGZPJMESA-N
MW348.45 g/mol
LogP3.88
Rot. Bonds4

About 3-(2-methylbenzimidazol-1-yl)-1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]propan-1-one

3-(2-methylbenzimidazol-1-yl)-1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]propan-1-one (PubChem CID 99947323) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-(2-methylbenzimidazol-1-yl)-1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-methylbenzimidazol-1-yl)-1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]propan-1-one
PubChem CID99947323
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name3-(2-methylbenzimidazol-1-yl)-1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]propan-1-one
SMILESCc1nc2ccccc2n1CCC(=O)N1CCCC[C@H]1c1ccccn1
InChIInChI=1S/C21H24N4O/c1-16-23-18-9-2-3-10-20(18)24(16)15-12-21(26)25-14-7-5-11-19(25)17-8-4-6-13-22-17/h2-4,6,8-10,13,19H,5,7,11-12,14-15H2,1H3/t19-/m0/s1
InChIKeyQKJDHINQOGYPJZ-IBGZPJMESA-N
XLogP3.88
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methylbenzimidazol-1-yl)-1-(2-pyridin-2-ylpyrrolidin-1-yl)propan-1-one
CID 70770316
4-(2-methylbenzimidazol-1-yl)-1-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]butan-1-one
CID 110122568
2-(benzotriazol-2-yl)-1-(2-pyridin-2-ylpiperidin-1-yl)ethanone
CID 77091255
1-methyl-3-[3-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]-3-oxopropyl]benzimidazol-2-one
CID 136515688
3-(1H-benzimidazol-2-yl)-1-[(2R)-2-pyridin-2-ylpiperidin-1-yl]propan-1-one
CID 99956598
3-(1H-benzimidazol-2-yl)-1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]propan-1-one
CID 99956601
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-(2-pyridin-2-ylpiperidin-1-yl)ethanone
CID 70782488
3-[2-oxo-2-[(2R)-2-pyridin-2-ylpiperidin-1-yl]ethyl]-1,3-benzoxazol-2-one
CID 95862581
1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]-2-quinazolin-4-yloxyethanone
CID 99974769
3-[2-oxo-2-(2-pyridin-2-ylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one
CID 70723414
3-(benzimidazol-1-yl)-1-[(2R)-2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]propan-1-one
CID 124957910
4,6-dimethyl-5-[3-oxo-3-[(2S)-2-pyridin-2-ylpiperidin-1-yl]propyl]-1H-pyrimidin-2-one
CID 99947148

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylbenzimidazol-1-yl)-1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]propan-1-one?
The IUPAC name of 3-(2-methylbenzimidazol-1-yl)-1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]propan-1-one (CID 99947323) is 3-(2-methylbenzimidazol-1-yl)-1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2-methylbenzimidazol-1-yl)-1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(2-methylbenzimidazol-1-yl)-1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]propan-1-one is Cc1nc2ccccc2n1CCC(=O)N1CCCC[C@H]1c1ccccn1.
What is the InChIKey of 3-(2-methylbenzimidazol-1-yl)-1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]propan-1-one?
The InChIKey is QKJDHINQOGYPJZ-IBGZPJMESA-N. The full InChI is InChI=1S/C21H24N4O/c1-16-23-18-9-2-3-10-20(18)24(16)15-12-21(26)25-14-7-5-11-19(25)17-8-4-6-13-22-17/h2-4,6,8-10,13,19H,5,7,11-12,14-15H2,1H3/t19-/m0/s1.
What are the key properties of 3-(2-methylbenzimidazol-1-yl)-1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]propan-1-one?
3-(2-methylbenzimidazol-1-yl)-1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]propan-1-one has a molecular weight of 348.45 g/mol, XLogP of 3.88, 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-[(2S)-2-pyridin-2-ylpiperidin-1-yl]propan-1-one is sourced from PubChem (CID 99947323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).