[1-(4-tert-butylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone

C23H27N3O — CID 71307830

IUPAC[1-(4-tert-butylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone
SMILESCC(C)(C)c1ccc(-n2cnc3cc(C(=O)N4CCCCC4)ccc32)cc1
InChIInChI=1S/C23H27N3O/c1-23(2,3)18-8-10-19(11-9-18)26-16-24-20-15-17(7-12-21(20)26)22(27)25-13-5-4-6-14-25/h7-12,15-16H,4-6,13-14H2,1-3H3
InChIKeyRPKYXCHZWRQDFG-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.95
Rot. Bonds2

About [1-(4-tert-butylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone

[1-(4-tert-butylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone (PubChem CID 71307830) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is [1-(4-tert-butylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(4-tert-butylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone
PubChem CID71307830
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name[1-(4-tert-butylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone
SMILESCC(C)(C)c1ccc(-n2cnc3cc(C(=O)N4CCCCC4)ccc32)cc1
InChIInChI=1S/C23H27N3O/c1-23(2,3)18-8-10-19(11-9-18)26-16-24-20-15-17(7-12-21(20)26)22(27)25-13-5-4-6-14-25/h7-12,15-16H,4-6,13-14H2,1-3H3
InChIKeyRPKYXCHZWRQDFG-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

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Related Compounds

[1-(3-chlorophenyl)benzimidazol-5-yl]-pyrrolidin-1-ylmethanone
CID 156810853
4-(benzimidazol-1-yl)-N-[3-(piperidine-1-carbonyl)phenyl]benzamide
CID 55950490
(4-tert-butylphenyl)-[4-[[1-methyl-5-(pyrrolidine-1-carbonyl)benzimidazol-2-yl]methyl]piperazin-1-yl]methanone
CID 50822440
4-[6-(azetidine-1-carbonyl)benzimidazol-1-yl]-N-methylsulfonylbenzamide
CID 137490400
[4-(3,4-dichlorophenyl)piperazin-1-yl]-(1-phenylbenzimidazol-5-yl)methanone
CID 121080190
azepan-1-yl-(3-methylbenzimidazol-5-yl)methanone
CID 110469131
1-[4-(1-methylbenzimidazole-5-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110805585
5-(1-piperidin-1-ylethenyl)-1-[3-(trifluoromethyl)phenyl]benzimidazole
CID 176715744
[4-[4-(benzimidazol-1-yl)benzoyl]piperazin-1-yl]-phenylmethanone
CID 17475824
azetidin-1-yl-[3-[4-(1-methylpyrazol-4-yl)phenyl]benzimidazol-5-yl]methanone
CID 137490311
4-(5-bromobenzimidazol-1-yl)benzoic acid
CID 167161055
azocan-1-yl-(2,3-dimethylquinoxalin-6-yl)methanone
CID 47009187

Frequently Asked Questions

What is the IUPAC name of [1-(4-tert-butylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-(4-tert-butylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone (CID 71307830) is [1-(4-tert-butylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-(4-tert-butylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-(4-tert-butylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone is CC(C)(C)c1ccc(-n2cnc3cc(C(=O)N4CCCCC4)ccc32)cc1.
What is the InChIKey of [1-(4-tert-butylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone?
The InChIKey is RPKYXCHZWRQDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-23(2,3)18-8-10-19(11-9-18)26-16-24-20-15-17(7-12-21(20)26)22(27)25-13-5-4-6-14-25/h7-12,15-16H,4-6,13-14H2,1-3H3.
What are the key properties of [1-(4-tert-butylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone?
[1-(4-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-(4-tert-butylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 71307830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).