[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-cyclohexylmethanone

C19H25N3O — CID 650482

IUPAC[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-cyclohexylmethanone
SMILESO=C(C1CCCCC1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C19H25N3O/c23-19(15-6-2-1-3-7-15)22-12-10-14(11-13-22)18-20-16-8-4-5-9-17(16)21-18/h4-5,8-9,14-15H,1-3,6-7,10-13H2,(H,20,21)
InChIKeyVIHFWQHFVBMDQF-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.85
Rot. Bonds2

About [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-cyclohexylmethanone

[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-cyclohexylmethanone (PubChem CID 650482) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-cyclohexylmethanone.

Molecular Properties

Compound Name[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-cyclohexylmethanone
PubChem CID650482
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-cyclohexylmethanone
SMILESO=C(C1CCCCC1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C19H25N3O/c23-19(15-6-2-1-3-7-15)22-12-10-14(11-13-22)18-20-16-8-4-5-9-17(16)21-18/h4-5,8-9,14-15H,1-3,6-7,10-13H2,(H,20,21)
InChIKeyVIHFWQHFVBMDQF-UHFFFAOYSA-N
XLogP3.85
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-cyclohexylmethanone?
The IUPAC name of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-cyclohexylmethanone (CID 650482) is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-cyclohexylmethanone.
What is the SMILES notation for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-cyclohexylmethanone?
The canonical SMILES for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-cyclohexylmethanone is O=C(C1CCCCC1)N1CCC(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-cyclohexylmethanone?
The InChIKey is VIHFWQHFVBMDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c23-19(15-6-2-1-3-7-15)22-12-10-14(11-13-22)18-20-16-8-4-5-9-17(16)21-18/h4-5,8-9,14-15H,1-3,6-7,10-13H2,(H,20,21).
What are the key properties of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-cyclohexylmethanone?
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-cyclohexylmethanone has a molecular weight of 311.43 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-cyclohexylmethanone is sourced from PubChem (CID 650482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).