4-(1H-benzimidazol-2-ylamino)cyclohexan-1-one

C13H15N3O — CID 138676689

IUPAC4-(1H-benzimidazol-2-ylamino)cyclohexan-1-one
SMILESO=C1CCC(Nc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C13H15N3O/c17-10-7-5-9(6-8-10)14-13-15-11-3-1-2-4-12(11)16-13/h1-4,9H,5-8H2,(H2,14,15,16)
InChIKeyAENGLWSWDJADSC-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.49
Rot. Bonds2

About 4-(1H-benzimidazol-2-ylamino)cyclohexan-1-one

4-(1H-benzimidazol-2-ylamino)cyclohexan-1-one (PubChem CID 138676689) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-ylamino)cyclohexan-1-one.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-ylamino)cyclohexan-1-one
PubChem CID138676689
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name4-(1H-benzimidazol-2-ylamino)cyclohexan-1-one
SMILESO=C1CCC(Nc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C13H15N3O/c17-10-7-5-9(6-8-10)14-13-15-11-3-1-2-4-12(11)16-13/h1-4,9H,5-8H2,(H2,14,15,16)
InChIKeyAENGLWSWDJADSC-UHFFFAOYSA-N
XLogP2.49
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-ylamino)cyclohexan-1-one?
The IUPAC name of 4-(1H-benzimidazol-2-ylamino)cyclohexan-1-one (CID 138676689) is 4-(1H-benzimidazol-2-ylamino)cyclohexan-1-one.
What is the SMILES notation for 4-(1H-benzimidazol-2-ylamino)cyclohexan-1-one?
The canonical SMILES for 4-(1H-benzimidazol-2-ylamino)cyclohexan-1-one is O=C1CCC(Nc2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 4-(1H-benzimidazol-2-ylamino)cyclohexan-1-one?
The InChIKey is AENGLWSWDJADSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c17-10-7-5-9(6-8-10)14-13-15-11-3-1-2-4-12(11)16-13/h1-4,9H,5-8H2,(H2,14,15,16).
What are the key properties of 4-(1H-benzimidazol-2-ylamino)cyclohexan-1-one?
4-(1H-benzimidazol-2-ylamino)cyclohexan-1-one has a molecular weight of 229.28 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-ylamino)cyclohexan-1-one is sourced from PubChem (CID 138676689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).