6-chloro-1-cyclobutylbenzimidazole

C11H11ClN2 — CID 126553044

IUPAC6-chloro-1-cyclobutylbenzimidazole
SMILESClc1ccc2ncn(C3CCC3)c2c1
InChIInChI=1S/C11H11ClN2/c12-8-4-5-10-11(6-8)14(7-13-10)9-2-1-3-9/h4-7,9H,1-3H2
InChIKeyCXQLQPJXAFBAFR-UHFFFAOYSA-N
MW206.68 g/mol
LogP3.41
Rot. Bonds1

About 6-chloro-1-cyclobutylbenzimidazole

6-chloro-1-cyclobutylbenzimidazole (PubChem CID 126553044) has the molecular formula C11H11ClN2 and a molecular weight of 206.68 g/mol. Its IUPAC name is 6-chloro-1-cyclobutylbenzimidazole.

Molecular Properties

Compound Name6-chloro-1-cyclobutylbenzimidazole
PubChem CID126553044
Molecular FormulaC11H11ClN2
Molecular Weight206.68 g/mol
Exact Mass206.06
IUPAC Name6-chloro-1-cyclobutylbenzimidazole
SMILESClc1ccc2ncn(C3CCC3)c2c1
InChIInChI=1S/C11H11ClN2/c12-8-4-5-10-11(6-8)14(7-13-10)9-2-1-3-9/h4-7,9H,1-3H2
InChIKeyCXQLQPJXAFBAFR-UHFFFAOYSA-N
XLogP3.41
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.68
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-1-cyclohexylbenzimidazole
CID 15429072
1-cyclobutyl-6-fluoro-5-methylbenzimidazole;ethane
CID 162381496
1-cyclopentyl-5,6-dimethylbenzimidazole
CID 115900464
tert-butyl 3-cyclobutylbenzimidazole-5-carboxylate
CID 170646085
3-(1-cyclopentylpiperidin-4-yl)benzimidazole-5-carboxylic acid
CID 68611173
3-piperidin-4-ylbenzimidazol-5-ol
CID 84785387
1-(3-cyclopropylbenzimidazol-5-yl)ethanone
CID 83880677
8-(3-cyclohexylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine
CID 155812064
4-(6-bromobenzimidazol-1-yl)thiane 1-oxide
CID 139394841
6-chloro-2-(chloromethyl)-1-cyclopentylbenzimidazole
CID 115470830
1-cyclopropyl-6-fluorobenzimidazol-5-amine
CID 83829700
6-chloro-2-(1-chloroethyl)-1-cyclobutylbenzimidazole
CID 115471442

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-cyclobutylbenzimidazole?
The IUPAC name of 6-chloro-1-cyclobutylbenzimidazole (CID 126553044) is 6-chloro-1-cyclobutylbenzimidazole.
What is the SMILES notation for 6-chloro-1-cyclobutylbenzimidazole?
The canonical SMILES for 6-chloro-1-cyclobutylbenzimidazole is Clc1ccc2ncn(C3CCC3)c2c1.
What is the InChIKey of 6-chloro-1-cyclobutylbenzimidazole?
The InChIKey is CXQLQPJXAFBAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2/c12-8-4-5-10-11(6-8)14(7-13-10)9-2-1-3-9/h4-7,9H,1-3H2.
What are the key properties of 6-chloro-1-cyclobutylbenzimidazole?
6-chloro-1-cyclobutylbenzimidazole has a molecular weight of 206.68 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-cyclobutylbenzimidazole is sourced from PubChem (CID 126553044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).