2-cyclobutyl-1-(4-methylphenyl)benzimidazole

C18H18N2 — CID 7996379

IUPAC2-cyclobutyl-1-(4-methylphenyl)benzimidazole
SMILESCc1ccc(-n2c(C3CCC3)nc3ccccc32)cc1
InChIInChI=1S/C18H18N2/c1-13-9-11-15(12-10-13)20-17-8-3-2-7-16(17)19-18(20)14-5-4-6-14/h2-3,7-12,14H,4-6H2,1H3
InChIKeyBSXYUVCNXSLFJY-UHFFFAOYSA-N
MW262.36 g/mol
LogP4.60
Rot. Bonds2

About 2-cyclobutyl-1-(4-methylphenyl)benzimidazole

2-cyclobutyl-1-(4-methylphenyl)benzimidazole (PubChem CID 7996379) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-cyclobutyl-1-(4-methylphenyl)benzimidazole.

Molecular Properties

Compound Name2-cyclobutyl-1-(4-methylphenyl)benzimidazole
PubChem CID7996379
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name2-cyclobutyl-1-(4-methylphenyl)benzimidazole
SMILESCc1ccc(-n2c(C3CCC3)nc3ccccc32)cc1
InChIInChI=1S/C18H18N2/c1-13-9-11-15(12-10-13)20-17-8-3-2-7-16(17)19-18(20)14-5-4-6-14/h2-3,7-12,14H,4-6H2,1H3
InChIKeyBSXYUVCNXSLFJY-UHFFFAOYSA-N
XLogP4.60
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Lerisetron
CID 65997
Bendazol
CID 12132
2-Phenylbenzimidazole
CID 12855
Chlormidazole
CID 71821
2-amino-1-((4-fluorophenyl)methyl)-1H-benzimidazole
CID 3019305
2-(4-Fluoro-phenyl)-1H-benzoimidazole
CID 101259
4-(1H-1,3-benzodiazol-2-yl)aniline
CID 345677
2-(2-Methylphenyl)-1H-benzimidazole
CID 200946
Zln005
CID 899323
2-(1H-benzimidazol-2-yl)aniline
CID 79869
3-(1H-1,3-benzodiazol-2-yl)aniline
CID 348695
5,6-dimethyl-1-((4-methylphenyl)methyl)-1H-1,3-benzodiazole
CID 962387

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-(4-methylphenyl)benzimidazole?
The IUPAC name of 2-cyclobutyl-1-(4-methylphenyl)benzimidazole (CID 7996379) is 2-cyclobutyl-1-(4-methylphenyl)benzimidazole.
What is the SMILES notation for 2-cyclobutyl-1-(4-methylphenyl)benzimidazole?
The canonical SMILES for 2-cyclobutyl-1-(4-methylphenyl)benzimidazole is Cc1ccc(-n2c(C3CCC3)nc3ccccc32)cc1.
What is the InChIKey of 2-cyclobutyl-1-(4-methylphenyl)benzimidazole?
The InChIKey is BSXYUVCNXSLFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c1-13-9-11-15(12-10-13)20-17-8-3-2-7-16(17)19-18(20)14-5-4-6-14/h2-3,7-12,14H,4-6H2,1H3.
What are the key properties of 2-cyclobutyl-1-(4-methylphenyl)benzimidazole?
2-cyclobutyl-1-(4-methylphenyl)benzimidazole has a molecular weight of 262.36 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-(4-methylphenyl)benzimidazole is sourced from PubChem (CID 7996379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).