6-bromo-2-(4-butylcyclohexyl)-1H-benzimidazole

C17H23BrN2 — CID 64722722

IUPAC6-bromo-2-(4-butylcyclohexyl)-1H-benzimidazole
SMILESCCCCC1CCC(c2nc3ccc(Br)cc3[nH]2)CC1
InChIInChI=1S/C17H23BrN2/c1-2-3-4-12-5-7-13(8-6-12)17-19-15-10-9-14(18)11-16(15)20-17/h9-13H,2-8H2,1H3,(H,19,20)
InChIKeyJZDAHMDKKJJWQV-UHFFFAOYSA-N
MW335.29 g/mol
LogP5.79
Rot. Bonds4

About 6-bromo-2-(4-butylcyclohexyl)-1H-benzimidazole

6-bromo-2-(4-butylcyclohexyl)-1H-benzimidazole (PubChem CID 64722722) has the molecular formula C17H23BrN2 and a molecular weight of 335.29 g/mol. Its IUPAC name is 6-bromo-2-(4-butylcyclohexyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-bromo-2-(4-butylcyclohexyl)-1H-benzimidazole
PubChem CID64722722
Molecular FormulaC17H23BrN2
Molecular Weight335.29 g/mol
Exact Mass334.10
IUPAC Name6-bromo-2-(4-butylcyclohexyl)-1H-benzimidazole
SMILESCCCCC1CCC(c2nc3ccc(Br)cc3[nH]2)CC1
InChIInChI=1S/C17H23BrN2/c1-2-3-4-12-5-7-13(8-6-12)17-19-15-10-9-14(18)11-16(15)20-17/h9-13H,2-8H2,1H3,(H,19,20)
InChIKeyJZDAHMDKKJJWQV-UHFFFAOYSA-N
XLogP5.79
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.29
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-bromo-2-[(3R)-oxan-3-yl]-1H-benzimidazole
CID 70141450
2-bromo-6-(4-pentylcyclohexyl)naphthalene
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6-bromo-2-(2-cyclopentylethyl)-1H-benzimidazole
CID 64723733
6-bromo-2-(5-methylpyrrolidin-2-yl)-1H-benzimidazole
CID 144634253
6-bromo-2-(2-methylcyclopentyl)-1H-benzimidazole
CID 107180157
2-[4-(aminomethyl)cyclohexyl]-3H-benzimidazol-5-ol
CID 81432165
butyl 2-(6-bromo-1H-benzimidazol-2-yl)pyrrolidine-1-carboxylate
CID 89497579
6-bromo-2-(cyclopentylmethyl)-1H-benzimidazole
CID 64723934
2-(4-tert-butylcyclohexyl)-6-methyl-1H-benzimidazole
CID 63399500
6-bromo-2-[1-[(2-methylpropan-2-yl)oxymethyl]pyrrolidin-2-yl]-1H-benzimidazole
CID 123588844
5-(4-butylcyclohexyl)-3-cyclopropyl-1H-1,2,4-triazole
CID 61338878
6-tert-butyl-2-piperidin-4-yl-1H-benzimidazole
CID 82184491

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(4-butylcyclohexyl)-1H-benzimidazole?
The IUPAC name of 6-bromo-2-(4-butylcyclohexyl)-1H-benzimidazole (CID 64722722) is 6-bromo-2-(4-butylcyclohexyl)-1H-benzimidazole.
What is the SMILES notation for 6-bromo-2-(4-butylcyclohexyl)-1H-benzimidazole?
The canonical SMILES for 6-bromo-2-(4-butylcyclohexyl)-1H-benzimidazole is CCCCC1CCC(c2nc3ccc(Br)cc3[nH]2)CC1.
What is the InChIKey of 6-bromo-2-(4-butylcyclohexyl)-1H-benzimidazole?
The InChIKey is JZDAHMDKKJJWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2/c1-2-3-4-12-5-7-13(8-6-12)17-19-15-10-9-14(18)11-16(15)20-17/h9-13H,2-8H2,1H3,(H,19,20).
What are the key properties of 6-bromo-2-(4-butylcyclohexyl)-1H-benzimidazole?
6-bromo-2-(4-butylcyclohexyl)-1H-benzimidazole has a molecular weight of 335.29 g/mol, XLogP of 5.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(4-butylcyclohexyl)-1H-benzimidazole is sourced from PubChem (CID 64722722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).