2-bromo-4-chloro-1-cyclopentylbenzimidazole

C12H12BrClN2 — CID 84816196

IUPAC2-bromo-4-chloro-1-cyclopentylbenzimidazole
SMILESClc1cccc2c1nc(Br)n2C1CCCC1
InChIInChI=1S/C12H12BrClN2/c13-12-15-11-9(14)6-3-7-10(11)16(12)8-4-1-2-5-8/h3,6-8H,1-2,4-5H2
InChIKeyJGZAXDCWBBLJIJ-UHFFFAOYSA-N
MW299.60 g/mol
LogP4.57
Rot. Bonds1

About 2-bromo-4-chloro-1-cyclopentylbenzimidazole

2-bromo-4-chloro-1-cyclopentylbenzimidazole (PubChem CID 84816196) has the molecular formula C12H12BrClN2 and a molecular weight of 299.60 g/mol. Its IUPAC name is 2-bromo-4-chloro-1-cyclopentylbenzimidazole.

Molecular Properties

Compound Name2-bromo-4-chloro-1-cyclopentylbenzimidazole
PubChem CID84816196
Molecular FormulaC12H12BrClN2
Molecular Weight299.60 g/mol
Exact Mass297.99
IUPAC Name2-bromo-4-chloro-1-cyclopentylbenzimidazole
SMILESClc1cccc2c1nc(Br)n2C1CCCC1
InChIInChI=1S/C12H12BrClN2/c13-12-15-11-9(14)6-3-7-10(11)16(12)8-4-1-2-5-8/h3,6-8H,1-2,4-5H2
InChIKeyJGZAXDCWBBLJIJ-UHFFFAOYSA-N
XLogP4.57
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.60
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dichloro-1-cyclobutylbenzimidazole
CID 84800761
2-bromo-1-cyclobutyl-4-fluorobenzimidazole
CID 84808519
4-chloro-2-(2-chloroethyl)-1-cyclobutylbenzimidazole
CID 104838040
4-chloro-2-(chloromethyl)-1-(oxan-4-yl)benzimidazole
CID 104837704
2-bromo-4-chloro-1-propan-2-ylbenzimidazole
CID 83845123
4-chloro-2-(1-chloroethyl)-1-(3-methylcyclohexyl)benzimidazole
CID 104837645
4-chloro-2-(chloromethyl)-1-(1-methylpyrrolidin-3-yl)benzimidazole
CID 104837772
4-chloro-1-(2,3-dihydro-1H-inden-2-yl)benzimidazol-2-amine
CID 107853138
4-chloro-1-cyclopropyl-2-(6-methylpyridazin-4-yl)benzimidazole
CID 135186435
3-[4-chloro-2-(1-chloroethyl)benzimidazol-1-yl]thiane 1,1-dioxide
CID 104838169
4-chloro-2-(2-chloroethyl)-1-(1-methylpyrrolidin-3-yl)benzimidazole
CID 104837771
7-chloro-1-cyclopentylbenzimidazol-2-amine
CID 43661582

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-1-cyclopentylbenzimidazole?
The IUPAC name of 2-bromo-4-chloro-1-cyclopentylbenzimidazole (CID 84816196) is 2-bromo-4-chloro-1-cyclopentylbenzimidazole.
What is the SMILES notation for 2-bromo-4-chloro-1-cyclopentylbenzimidazole?
The canonical SMILES for 2-bromo-4-chloro-1-cyclopentylbenzimidazole is Clc1cccc2c1nc(Br)n2C1CCCC1.
What is the InChIKey of 2-bromo-4-chloro-1-cyclopentylbenzimidazole?
The InChIKey is JGZAXDCWBBLJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN2/c13-12-15-11-9(14)6-3-7-10(11)16(12)8-4-1-2-5-8/h3,6-8H,1-2,4-5H2.
What are the key properties of 2-bromo-4-chloro-1-cyclopentylbenzimidazole?
2-bromo-4-chloro-1-cyclopentylbenzimidazole has a molecular weight of 299.60 g/mol, XLogP of 4.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-1-cyclopentylbenzimidazole is sourced from PubChem (CID 84816196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).