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

3-(2-cyclopropylbenzimidazol-1-yl)-2-methylbenzaldehyde
CID 87280714
3-(4-methylphenyl)-2-(thian-4-yl)imidazo[4,5-b]pyridine
CID 117160981
1-(4-fluorophenyl)-2-(4-methylphenyl)benzimidazole
CID 95930125
2-cyclopropyl-6-methyl-1-(2-methylphenyl)benzimidazole
CID 134835912
1-(2-ethoxyethyl)-2-[1-(4-methylphenyl)piperidin-4-yl]benzimidazole
CID 141391428
1-[4-(10-cyclohexa-1,5-dien-1-yl-2-methylanthracen-9-yl)phenyl]-2-cyclohex-2-en-1-ylbenzimidazole
CID 167210577
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylacetamide
CID 11917689
(3R)-3-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one
CID 121471369
2-cyclopropyl-1-[(2,5-dimethylphenyl)methyl]benzimidazole
CID 18878588
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-methylphenyl)methanone
CID 91947140
2-[4-[4-[2,5-bis(4-methylphenyl)pyrrol-1-yl]phenyl]phenyl]-1-phenylbenzimidazole
CID 58489476
N-[(1S,2S)-2-methylcyclohexyl]-2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylacetamide
CID 7855832

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).