6-butan-2-yl-1-cyclobutyl-2-methylbenzimidazole

C16H22N2 — CID 170981842

IUPAC6-butan-2-yl-1-cyclobutyl-2-methylbenzimidazole
SMILESCCC(C)c1ccc2nc(C)n(C3CCC3)c2c1
InChIInChI=1S/C16H22N2/c1-4-11(2)13-8-9-15-16(10-13)18(12(3)17-15)14-6-5-7-14/h8-11,14H,4-7H2,1-3H3
InChIKeyRNIWZJWVSUIWCB-UHFFFAOYSA-N
MW242.37 g/mol
LogP4.58
Rot. Bonds3

About 6-butan-2-yl-1-cyclobutyl-2-methylbenzimidazole

6-butan-2-yl-1-cyclobutyl-2-methylbenzimidazole (PubChem CID 170981842) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 6-butan-2-yl-1-cyclobutyl-2-methylbenzimidazole.

Molecular Properties

Compound Name6-butan-2-yl-1-cyclobutyl-2-methylbenzimidazole
PubChem CID170981842
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name6-butan-2-yl-1-cyclobutyl-2-methylbenzimidazole
SMILESCCC(C)c1ccc2nc(C)n(C3CCC3)c2c1
InChIInChI=1S/C16H22N2/c1-4-11(2)13-8-9-15-16(10-13)18(12(3)17-15)14-6-5-7-14/h8-11,14H,4-7H2,1-3H3
InChIKeyRNIWZJWVSUIWCB-UHFFFAOYSA-N
XLogP4.58
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(6-butan-2-yl-1-cyclobutylbenzimidazol-2-yl)-2,3-dimethylbutanamide
CID 146420832
1-(azetidin-3-yl)-2-methyl-6-propan-2-ylbenzimidazole
CID 134492323
3-(1-cyclopropyl-2-methylbenzimidazol-5-yl)butanoic acid
CID 82500033
1-cyclobutyl-5-fluoro-2-methylbenzimidazole
CID 139518340
1-(1-cyclopropyl-2-methylbenzimidazol-5-yl)-N-methylethanamine
CID 82495003
1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-3-methylbutan-1-one
CID 46108984
1-(3-cyclopropyl-2-methylbenzimidazol-5-yl)ethanone
CID 83886321
6-chloro-2-(1-chloroethyl)-1-cyclobutylbenzimidazole
CID 115471442
6-butan-2-yl-1-methylindazole
CID 118069514
1-(4-butan-2-ylphenyl)sulfonyl-2-methylbenzimidazole
CID 22200660
1-(4-ethylcyclohexyl)-2-methylbenzimidazol-5-amine
CID 62506898
2-(chloromethyl)-1-cyclobutyl-6-fluorobenzimidazole
CID 62414806

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-1-cyclobutyl-2-methylbenzimidazole?
The IUPAC name of 6-butan-2-yl-1-cyclobutyl-2-methylbenzimidazole (CID 170981842) is 6-butan-2-yl-1-cyclobutyl-2-methylbenzimidazole.
What is the SMILES notation for 6-butan-2-yl-1-cyclobutyl-2-methylbenzimidazole?
The canonical SMILES for 6-butan-2-yl-1-cyclobutyl-2-methylbenzimidazole is CCC(C)c1ccc2nc(C)n(C3CCC3)c2c1.
What is the InChIKey of 6-butan-2-yl-1-cyclobutyl-2-methylbenzimidazole?
The InChIKey is RNIWZJWVSUIWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-4-11(2)13-8-9-15-16(10-13)18(12(3)17-15)14-6-5-7-14/h8-11,14H,4-7H2,1-3H3.
What are the key properties of 6-butan-2-yl-1-cyclobutyl-2-methylbenzimidazole?
6-butan-2-yl-1-cyclobutyl-2-methylbenzimidazole has a molecular weight of 242.37 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-1-cyclobutyl-2-methylbenzimidazole is sourced from PubChem (CID 170981842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).