1-butan-2-yl-6-chloro-2-cyclohexylbenzimidazole

C17H23ClN2 — CID 46309952

IUPAC1-butan-2-yl-6-chloro-2-cyclohexylbenzimidazole
SMILESCCC(C)n1c(C2CCCCC2)nc2ccc(Cl)cc21
InChIInChI=1S/C17H23ClN2/c1-3-12(2)20-16-11-14(18)9-10-15(16)19-17(20)13-7-5-4-6-8-13/h9-13H,3-8H2,1-2H3
InChIKeyVWNMFZKYZFRULU-UHFFFAOYSA-N
MW290.84 g/mol
LogP5.71
Rot. Bonds3

About 1-butan-2-yl-6-chloro-2-cyclohexylbenzimidazole

1-butan-2-yl-6-chloro-2-cyclohexylbenzimidazole (PubChem CID 46309952) has the molecular formula C17H23ClN2 and a molecular weight of 290.84 g/mol. Its IUPAC name is 1-butan-2-yl-6-chloro-2-cyclohexylbenzimidazole.

Molecular Properties

Compound Name1-butan-2-yl-6-chloro-2-cyclohexylbenzimidazole
PubChem CID46309952
Molecular FormulaC17H23ClN2
Molecular Weight290.84 g/mol
Exact Mass290.15
IUPAC Name1-butan-2-yl-6-chloro-2-cyclohexylbenzimidazole
SMILESCCC(C)n1c(C2CCCCC2)nc2ccc(Cl)cc21
InChIInChI=1S/C17H23ClN2/c1-3-12(2)20-16-11-14(18)9-10-15(16)19-17(20)13-7-5-4-6-8-13/h9-13H,3-8H2,1-2H3
InChIKeyVWNMFZKYZFRULU-UHFFFAOYSA-N
XLogP5.71
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.84
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-chloro-2-cyclohexylbenzimidazol-1-yl)propan-2-ol
CID 46308315
2-(6-chloro-2-cyclohexylbenzimidazol-1-yl)ethanol
CID 46308180
6-chloro-2-cyclohexyl-1-(2-methoxyethyl)benzimidazole
CID 46309125
3-(6-chloro-2-cyclohexylbenzimidazol-1-yl)-N,N-diethylpropan-1-amine
CID 46308858
6-chloro-2-cyclopropyl-1-methylbenzimidazole
CID 46310330
2-(5,6-dichloro-2-cyclobutylbenzimidazol-1-yl)propan-1-amine
CID 82146040
[2-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)cyclopentyl]methanamine
CID 115473033
6-chloro-2-cyclohexyl-1-(furan-2-ylmethyl)benzimidazole
CID 46310221
2-(2-cyclobutyl-5,6-difluorobenzimidazol-1-yl)propan-1-amine
CID 82146329
2-(6-chloro-2-cyclohexylimidazo[4,5-b]pyridin-3-yl)propan-1-amine
CID 82143881
6-chloro-2-(chloromethyl)-1-(3-ethylpentan-2-yl)benzimidazole
CID 113316375
6-chloro-2-(chloromethyl)-1-(3-methylpentan-2-yl)benzimidazole
CID 115471186

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-6-chloro-2-cyclohexylbenzimidazole?
The IUPAC name of 1-butan-2-yl-6-chloro-2-cyclohexylbenzimidazole (CID 46309952) is 1-butan-2-yl-6-chloro-2-cyclohexylbenzimidazole.
What is the SMILES notation for 1-butan-2-yl-6-chloro-2-cyclohexylbenzimidazole?
The canonical SMILES for 1-butan-2-yl-6-chloro-2-cyclohexylbenzimidazole is CCC(C)n1c(C2CCCCC2)nc2ccc(Cl)cc21.
What is the InChIKey of 1-butan-2-yl-6-chloro-2-cyclohexylbenzimidazole?
The InChIKey is VWNMFZKYZFRULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2/c1-3-12(2)20-16-11-14(18)9-10-15(16)19-17(20)13-7-5-4-6-8-13/h9-13H,3-8H2,1-2H3.
What are the key properties of 1-butan-2-yl-6-chloro-2-cyclohexylbenzimidazole?
1-butan-2-yl-6-chloro-2-cyclohexylbenzimidazole has a molecular weight of 290.84 g/mol, XLogP of 5.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-6-chloro-2-cyclohexylbenzimidazole is sourced from PubChem (CID 46309952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).