1H-benzimidazol-2-yl(piperidin-1-yl)methanone

C13H15N3O — CID 12620216

IUPAC1H-benzimidazol-2-yl(piperidin-1-yl)methanone
SMILESO=C(c1nc2ccccc2[nH]1)N1CCCCC1
InChIInChI=1S/C13H15N3O/c17-13(16-8-4-1-5-9-16)12-14-10-6-2-3-7-11(10)15-12/h2-3,6-7H,1,4-5,8-9H2,(H,14,15)
InChIKeyHKSNOQWMJLCGBB-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.19
Rot. Bonds1

About 1H-benzimidazol-2-yl(piperidin-1-yl)methanone

1H-benzimidazol-2-yl(piperidin-1-yl)methanone (PubChem CID 12620216) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl(piperidin-1-yl)methanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl(piperidin-1-yl)methanone
PubChem CID12620216
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name1H-benzimidazol-2-yl(piperidin-1-yl)methanone
SMILESO=C(c1nc2ccccc2[nH]1)N1CCCCC1
InChIInChI=1S/C13H15N3O/c17-13(16-8-4-1-5-9-16)12-14-10-6-2-3-7-11(10)15-12/h2-3,6-7H,1,4-5,8-9H2,(H,14,15)
InChIKeyHKSNOQWMJLCGBB-UHFFFAOYSA-N
XLogP2.19
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

aziridin-1-yl(1H-benzimidazol-2-yl)methanone
CID 45077903
1H-benzimidazol-2-yl-[(3R)-3-phenoxypiperidin-1-yl]methanone
CID 167892131
1-(1H-benzimidazole-2-carbonyl)-3-ethylpiperidine-3-carboxylic acid
CID 118766556
1H-benzimidazol-2-yl-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone
CID 46909812
1H-benzimidazole-2-carboxylic acid;cadmium
CID 174957595
1H-benzimidazol-2-yl-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 126428921
(1H-benzimidazol-2-ylamino) piperidine-1-carboxylate
CID 22711771
molecular hydrogen;pyridin-3-yl 4-(1H-benzimidazole-2-carbonyl)piperazine-1-carboxylate
CID 143986416
[3-(1H-benzimidazol-2-yl)-4-methylphenyl]-piperidin-1-ylmethanone
CID 141349864
1H-benzimidazol-2-yl-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 139721550
(6R,11S)-8-(1H-benzimidazole-2-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 164691027
1H-benzimidazole-2-carbothioic S-acid
CID 19781386

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl(piperidin-1-yl)methanone?
The IUPAC name of 1H-benzimidazol-2-yl(piperidin-1-yl)methanone (CID 12620216) is 1H-benzimidazol-2-yl(piperidin-1-yl)methanone.
What is the SMILES notation for 1H-benzimidazol-2-yl(piperidin-1-yl)methanone?
The canonical SMILES for 1H-benzimidazol-2-yl(piperidin-1-yl)methanone is O=C(c1nc2ccccc2[nH]1)N1CCCCC1.
What is the InChIKey of 1H-benzimidazol-2-yl(piperidin-1-yl)methanone?
The InChIKey is HKSNOQWMJLCGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c17-13(16-8-4-1-5-9-16)12-14-10-6-2-3-7-11(10)15-12/h2-3,6-7H,1,4-5,8-9H2,(H,14,15).
What are the key properties of 1H-benzimidazol-2-yl(piperidin-1-yl)methanone?
1H-benzimidazol-2-yl(piperidin-1-yl)methanone has a molecular weight of 229.28 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-yl(piperidin-1-yl)methanone is sourced from PubChem (CID 12620216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).