5-bromo-1-(2-cyclohexylethyl)benzimidazole

C15H19BrN2 — CID 139211305

IUPAC5-bromo-1-(2-cyclohexylethyl)benzimidazole
SMILESBrc1ccc2c(c1)ncn2CCC1CCCCC1
InChIInChI=1S/C15H19BrN2/c16-13-6-7-15-14(10-13)17-11-18(15)9-8-12-4-2-1-3-5-12/h6-7,10-12H,1-5,8-9H2
InChIKeyQEXABNKEHCUPPK-UHFFFAOYSA-N
MW307.23 g/mol
LogP4.77
Rot. Bonds3

About 5-bromo-1-(2-cyclohexylethyl)benzimidazole

5-bromo-1-(2-cyclohexylethyl)benzimidazole (PubChem CID 139211305) has the molecular formula C15H19BrN2 and a molecular weight of 307.23 g/mol. Its IUPAC name is 5-bromo-1-(2-cyclohexylethyl)benzimidazole.

Molecular Properties

Compound Name5-bromo-1-(2-cyclohexylethyl)benzimidazole
PubChem CID139211305
Molecular FormulaC15H19BrN2
Molecular Weight307.23 g/mol
Exact Mass306.07
IUPAC Name5-bromo-1-(2-cyclohexylethyl)benzimidazole
SMILESBrc1ccc2c(c1)ncn2CCC1CCCCC1
InChIInChI=1S/C15H19BrN2/c16-13-6-7-15-14(10-13)17-11-18(15)9-8-12-4-2-1-3-5-12/h6-7,10-12H,1-5,8-9H2
InChIKeyQEXABNKEHCUPPK-UHFFFAOYSA-N
XLogP4.77
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.23
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-cyclopentylethyl)benzimidazol-5-amine
CID 62507553
(2R,3S)-2-[3-(5-bromobenzimidazol-1-yl)propyl]piperidin-3-ol
CID 135304084
1-(3-cyclopentylpropyl)benzimidazole-5-carboxylic acid
CID 106003508
5-bromo-1-cyclopropylbenzimidazole
CID 82496945
5-bromo-2-(1-chloroethyl)-1-(2-cyclohexylethyl)benzimidazole
CID 63544857
1-(cyclohexylmethyl)-N-methylbenzimidazol-5-amine
CID 154455825
6-bromo-2-(2-chloroethyl)-1-(2-cyclohexylethyl)benzimidazole
CID 65344662
5-bromo-2-(1-chloroethyl)-1-(2-cyclopentylethyl)benzimidazole
CID 63545211
methyl 3-(2-cyclohexylethyl)imidazo[4,5-c]pyridine-6-carboxylate
CID 141469895
5-bromo-2-(2-chloroethyl)-1-(2-cyclobutylethyl)benzimidazole
CID 113479132
5-[(5-bromobenzimidazol-1-yl)methyl]-1,3-dimethylbenzimidazol-2-one
CID 155460552
5-bromo-1-(oxetan-3-yl)benzimidazole
CID 83488440

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(2-cyclohexylethyl)benzimidazole?
The IUPAC name of 5-bromo-1-(2-cyclohexylethyl)benzimidazole (CID 139211305) is 5-bromo-1-(2-cyclohexylethyl)benzimidazole.
What is the SMILES notation for 5-bromo-1-(2-cyclohexylethyl)benzimidazole?
The canonical SMILES for 5-bromo-1-(2-cyclohexylethyl)benzimidazole is Brc1ccc2c(c1)ncn2CCC1CCCCC1.
What is the InChIKey of 5-bromo-1-(2-cyclohexylethyl)benzimidazole?
The InChIKey is QEXABNKEHCUPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2/c16-13-6-7-15-14(10-13)17-11-18(15)9-8-12-4-2-1-3-5-12/h6-7,10-12H,1-5,8-9H2.
What are the key properties of 5-bromo-1-(2-cyclohexylethyl)benzimidazole?
5-bromo-1-(2-cyclohexylethyl)benzimidazole has a molecular weight of 307.23 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(2-cyclohexylethyl)benzimidazole is sourced from PubChem (CID 139211305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).