[1-(3-tert-butylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone

C23H27N3O — CID 71307880

IUPAC[1-(3-tert-butylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone
SMILESCC(C)(C)c1cccc(-n2cnc3cc(C(=O)N4CCCCC4)ccc32)c1
InChIInChI=1S/C23H27N3O/c1-23(2,3)18-8-7-9-19(15-18)26-16-24-20-14-17(10-11-21(20)26)22(27)25-12-5-4-6-13-25/h7-11,14-16H,4-6,12-13H2,1-3H3
InChIKeyVXZJWWIGSSGWDS-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.95
Rot. Bonds2

About [1-(3-tert-butylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone

[1-(3-tert-butylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone (PubChem CID 71307880) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is [1-(3-tert-butylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(3-tert-butylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone
PubChem CID71307880
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name[1-(3-tert-butylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone
SMILESCC(C)(C)c1cccc(-n2cnc3cc(C(=O)N4CCCCC4)ccc32)c1
InChIInChI=1S/C23H27N3O/c1-23(2,3)18-8-7-9-19(15-18)26-16-24-20-14-17(10-11-21(20)26)22(27)25-12-5-4-6-13-25/h7-11,14-16H,4-6,12-13H2,1-3H3
InChIKeyVXZJWWIGSSGWDS-UHFFFAOYSA-N
XLogP4.95
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [1-(3-tert-butylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(3-tert-butylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-(3-tert-butylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone (CID 71307880) is [1-(3-tert-butylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-(3-tert-butylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-(3-tert-butylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone is CC(C)(C)c1cccc(-n2cnc3cc(C(=O)N4CCCCC4)ccc32)c1.
What is the InChIKey of [1-(3-tert-butylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone?
The InChIKey is VXZJWWIGSSGWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-23(2,3)18-8-7-9-19(15-18)26-16-24-20-14-17(10-11-21(20)26)22(27)25-12-5-4-6-13-25/h7-11,14-16H,4-6,12-13H2,1-3H3.
What are the key properties of [1-(3-tert-butylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone?
[1-(3-tert-butylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone has a molecular weight of 361.49 g/mol, XLogP of 4.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-tert-butylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 71307880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).