(2-methyl-3H-benzimidazol-5-yl)-[(2S)-2-pyridin-2-ylpiperidin-1-yl]methanone

C19H20N4O — CID 95894350

IUPAC(2-methyl-3H-benzimidazol-5-yl)-[(2S)-2-pyridin-2-ylpiperidin-1-yl]methanone
SMILESCc1nc2ccc(C(=O)N3CCCC[C@H]3c3ccccn3)cc2[nH]1
InChIInChI=1S/C19H20N4O/c1-13-21-15-9-8-14(12-17(15)22-13)19(24)23-11-5-3-7-18(23)16-6-2-4-10-20-16/h2,4,6,8-10,12,18H,3,5,7,11H2,1H3,(H,21,22)/t18-/m0/s1
InChIKeyVNVOOVCCYYVJOP-SFHVURJKSA-N
MW320.40 g/mol
LogP3.63
Rot. Bonds2

About (2-methyl-3H-benzimidazol-5-yl)-[(2S)-2-pyridin-2-ylpiperidin-1-yl]methanone

(2-methyl-3H-benzimidazol-5-yl)-[(2S)-2-pyridin-2-ylpiperidin-1-yl]methanone (PubChem CID 95894350) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is (2-methyl-3H-benzimidazol-5-yl)-[(2S)-2-pyridin-2-ylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methyl-3H-benzimidazol-5-yl)-[(2S)-2-pyridin-2-ylpiperidin-1-yl]methanone
PubChem CID95894350
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name(2-methyl-3H-benzimidazol-5-yl)-[(2S)-2-pyridin-2-ylpiperidin-1-yl]methanone
SMILESCc1nc2ccc(C(=O)N3CCCC[C@H]3c3ccccn3)cc2[nH]1
InChIInChI=1S/C19H20N4O/c1-13-21-15-9-8-14(12-17(15)22-13)19(24)23-11-5-3-7-18(23)16-6-2-4-10-20-16/h2,4,6,8-10,12,18H,3,5,7,11H2,1H3,(H,21,22)/t18-/m0/s1
InChIKeyVNVOOVCCYYVJOP-SFHVURJKSA-N
XLogP3.63
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methyl-3H-benzimidazol-5-yl)-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
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[2-[2-(3-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone
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(3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone
CID 97144676
1,3-benzodioxol-5-yl-(2-pyridin-2-ylpiperidin-1-yl)methanone
CID 70759267
(2-methyl-3H-benzimidazol-5-yl)-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 70740975
(2-methyl-3H-benzimidazol-5-yl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
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2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl-(2-methyl-3H-benzimidazol-5-yl)methanone
CID 67223557
(3-chlorophenyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 47380034
(3R,4R)-1-(2-methyl-3H-benzimidazole-5-carbonyl)-4-pyridin-2-ylpyrrolidine-3-carboxylic acid
CID 133112556
(2-pyridin-2-ylpiperidin-1-yl)-(2,3,6-trimethylquinolin-4-yl)methanone
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4-(2-pyridin-2-ylpiperidine-1-carbonyl)benzenesulfonamide
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Frequently Asked Questions

What is the IUPAC name of (2-methyl-3H-benzimidazol-5-yl)-[(2S)-2-pyridin-2-ylpiperidin-1-yl]methanone?
The IUPAC name of (2-methyl-3H-benzimidazol-5-yl)-[(2S)-2-pyridin-2-ylpiperidin-1-yl]methanone (CID 95894350) is (2-methyl-3H-benzimidazol-5-yl)-[(2S)-2-pyridin-2-ylpiperidin-1-yl]methanone.
What is the SMILES notation for (2-methyl-3H-benzimidazol-5-yl)-[(2S)-2-pyridin-2-ylpiperidin-1-yl]methanone?
The canonical SMILES for (2-methyl-3H-benzimidazol-5-yl)-[(2S)-2-pyridin-2-ylpiperidin-1-yl]methanone is Cc1nc2ccc(C(=O)N3CCCC[C@H]3c3ccccn3)cc2[nH]1.
What is the InChIKey of (2-methyl-3H-benzimidazol-5-yl)-[(2S)-2-pyridin-2-ylpiperidin-1-yl]methanone?
The InChIKey is VNVOOVCCYYVJOP-SFHVURJKSA-N. The full InChI is InChI=1S/C19H20N4O/c1-13-21-15-9-8-14(12-17(15)22-13)19(24)23-11-5-3-7-18(23)16-6-2-4-10-20-16/h2,4,6,8-10,12,18H,3,5,7,11H2,1H3,(H,21,22)/t18-/m0/s1.
What are the key properties of (2-methyl-3H-benzimidazol-5-yl)-[(2S)-2-pyridin-2-ylpiperidin-1-yl]methanone?
(2-methyl-3H-benzimidazol-5-yl)-[(2S)-2-pyridin-2-ylpiperidin-1-yl]methanone has a molecular weight of 320.40 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3H-benzimidazol-5-yl)-[(2S)-2-pyridin-2-ylpiperidin-1-yl]methanone is sourced from PubChem (CID 95894350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).