[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone

C25H23N3O — CID 58494516

IUPAC[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C25H23N3O/c29-25(20-14-12-19(13-15-20)18-7-2-1-3-8-18)28-16-6-9-21(17-28)24-26-22-10-4-5-11-23(22)27-24/h1-5,7-8,10-15,21H,6,9,16-17H2,(H,26,27)/t21-/m0/s1
InChIKeyJMYXKPMYQLIPNL-NRFANRHFSA-N
MW381.48 g/mol
LogP5.25
Rot. Bonds3

About [(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone

[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone (PubChem CID 58494516) has the molecular formula C25H23N3O and a molecular weight of 381.48 g/mol. Its IUPAC name is [(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone.

Molecular Properties

Compound Name[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
PubChem CID58494516
Molecular FormulaC25H23N3O
Molecular Weight381.48 g/mol
Exact Mass381.18
IUPAC Name[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C25H23N3O/c29-25(20-14-12-19(13-15-20)18-7-2-1-3-8-18)28-16-6-9-21(17-28)24-26-22-10-4-5-11-23(22)27-24/h1-5,7-8,10-15,21H,6,9,16-17H2,(H,26,27)/t21-/m0/s1
InChIKeyJMYXKPMYQLIPNL-NRFANRHFSA-N
XLogP5.25
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.48
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone with MolForge

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

Launch Full Analysis

Related Compounds

[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 46509091
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 51477839
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 55483800
[3-[4-(aminomethyl)phenyl]phenyl]-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 155967933
[(3S)-3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 51137015
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-butoxyphenyl)methanone
CID 46692363
2-[4-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide
CID 42932459
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-methylphenyl)methanone
CID 25352744
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-phenylthiadiazol-4-yl)methanone
CID 91946845
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(4-fluorobenzoyl)piperidin-4-yl]methanone
CID 55498022
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyridin-3-yloxyphenyl)methanone
CID 47993008
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone
CID 95897770

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone?
The IUPAC name of [(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone (CID 58494516) is [(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone.
What is the SMILES notation for [(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone?
The canonical SMILES for [(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone is O=C(c1ccc(-c2ccccc2)cc1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1.
What is the InChIKey of [(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone?
The InChIKey is JMYXKPMYQLIPNL-NRFANRHFSA-N. The full InChI is InChI=1S/C25H23N3O/c29-25(20-14-12-19(13-15-20)18-7-2-1-3-8-18)28-16-6-9-21(17-28)24-26-22-10-4-5-11-23(22)27-24/h1-5,7-8,10-15,21H,6,9,16-17H2,(H,26,27)/t21-/m0/s1.
What are the key properties of [(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone?
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone has a molecular weight of 381.48 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone is sourced from PubChem (CID 58494516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).