[1-(3-methylphenyl)benzimidazol-5-yl]-(3-phenylpiperidin-1-yl)methanone

C26H25N3O — CID 71307812

IUPAC[1-(3-methylphenyl)benzimidazol-5-yl]-(3-phenylpiperidin-1-yl)methanone
SMILESCc1cccc(-n2cnc3cc(C(=O)N4CCCC(c5ccccc5)C4)ccc32)c1
InChIInChI=1S/C26H25N3O/c1-19-7-5-11-23(15-19)29-18-27-24-16-21(12-13-25(24)29)26(30)28-14-6-10-22(17-28)20-8-3-2-4-9-20/h2-5,7-9,11-13,15-16,18,22H,6,10,14,17H2,1H3
InChIKeyVRMNQRXKPFHKNQ-UHFFFAOYSA-N
MW395.51 g/mol
LogP5.35
Rot. Bonds3

About [1-(3-methylphenyl)benzimidazol-5-yl]-(3-phenylpiperidin-1-yl)methanone

[1-(3-methylphenyl)benzimidazol-5-yl]-(3-phenylpiperidin-1-yl)methanone (PubChem CID 71307812) has the molecular formula C26H25N3O and a molecular weight of 395.51 g/mol. Its IUPAC name is [1-(3-methylphenyl)benzimidazol-5-yl]-(3-phenylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(3-methylphenyl)benzimidazol-5-yl]-(3-phenylpiperidin-1-yl)methanone
PubChem CID71307812
Molecular FormulaC26H25N3O
Molecular Weight395.51 g/mol
Exact Mass395.20
IUPAC Name[1-(3-methylphenyl)benzimidazol-5-yl]-(3-phenylpiperidin-1-yl)methanone
SMILESCc1cccc(-n2cnc3cc(C(=O)N4CCCC(c5ccccc5)C4)ccc32)c1
InChIInChI=1S/C26H25N3O/c1-19-7-5-11-23(15-19)29-18-27-24-16-21(12-13-25(24)29)26(30)28-14-6-10-22(17-28)20-8-3-2-4-9-20/h2-5,7-9,11-13,15-16,18,22H,6,10,14,17H2,1H3
InChIKeyVRMNQRXKPFHKNQ-UHFFFAOYSA-N
XLogP5.35
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.51
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Dabigatran
CID 216210
Tsr-011
CID 57345941
[1-(3-Methylphenyl)-5-benzimidazolyl]-(1-piperidinyl)methanone
CID 3243760
Avp-13358
CID 9805635
2-{2-[5-methyl-1-(pyridin-4-yl)-1H-benzimidazol-2-yl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione
CID 137700779
N-(1-ethylbenzimidazol-2-yl)benzamide
CID 872071
4-(1H-1,3-benzodiazol-1-yl)benzaldehyde
CID 737733
N-((2-chlorophenyl)methyl)-1-(2,5-dimethylphenyl)-1H-1,3-benzodiazole-5-carboxamide
CID 82017756
1-Phenylbenzimidazole deriv. 72
CID 5328471
4-(1-phenyl-1H-1,3-benzodiazol-5-yl)-1-[3-(piperidin-1-yl)propyl]-1,2-dihydropyridin-2-one
CID 5329407
5-(1-phenyl-1H-1,3-benzodiazol-5-yl)-1-[3-(piperidin-1-yl)propyl]-1,2-dihydropyridin-2-one
CID 5329408
4-(1-phenyl-1H-1,3-benzodiazol-5-yl)-1-[2-(piperidin-1-yl)ethyl]-1,2-dihydropyridin-2-one
CID 5329409

Frequently Asked Questions

What is the IUPAC name of [1-(3-methylphenyl)benzimidazol-5-yl]-(3-phenylpiperidin-1-yl)methanone?
The IUPAC name of [1-(3-methylphenyl)benzimidazol-5-yl]-(3-phenylpiperidin-1-yl)methanone (CID 71307812) is [1-(3-methylphenyl)benzimidazol-5-yl]-(3-phenylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-(3-methylphenyl)benzimidazol-5-yl]-(3-phenylpiperidin-1-yl)methanone?
The canonical SMILES for [1-(3-methylphenyl)benzimidazol-5-yl]-(3-phenylpiperidin-1-yl)methanone is Cc1cccc(-n2cnc3cc(C(=O)N4CCCC(c5ccccc5)C4)ccc32)c1.
What is the InChIKey of [1-(3-methylphenyl)benzimidazol-5-yl]-(3-phenylpiperidin-1-yl)methanone?
The InChIKey is VRMNQRXKPFHKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O/c1-19-7-5-11-23(15-19)29-18-27-24-16-21(12-13-25(24)29)26(30)28-14-6-10-22(17-28)20-8-3-2-4-9-20/h2-5,7-9,11-13,15-16,18,22H,6,10,14,17H2,1H3.
What are the key properties of [1-(3-methylphenyl)benzimidazol-5-yl]-(3-phenylpiperidin-1-yl)methanone?
[1-(3-methylphenyl)benzimidazol-5-yl]-(3-phenylpiperidin-1-yl)methanone has a molecular weight of 395.51 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylphenyl)benzimidazol-5-yl]-(3-phenylpiperidin-1-yl)methanone is sourced from PubChem (CID 71307812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).