6-bromo-2-(chloromethyl)-1-(1-methylcyclopentyl)benzimidazole

C14H16BrClN2 — CID 65346626

IUPAC6-bromo-2-(chloromethyl)-1-(1-methylcyclopentyl)benzimidazole
SMILESCC1(n2c(CCl)nc3ccc(Br)cc32)CCCC1
InChIInChI=1S/C14H16BrClN2/c1-14(6-2-3-7-14)18-12-8-10(15)4-5-11(12)17-13(18)9-16/h4-5,8H,2-3,6-7,9H2,1H3
InChIKeyHBIJZWNXYUYLRH-UHFFFAOYSA-N
MW327.65 g/mol
LogP4.83
Rot. Bonds2

About 6-bromo-2-(chloromethyl)-1-(1-methylcyclopentyl)benzimidazole

6-bromo-2-(chloromethyl)-1-(1-methylcyclopentyl)benzimidazole (PubChem CID 65346626) has the molecular formula C14H16BrClN2 and a molecular weight of 327.65 g/mol. Its IUPAC name is 6-bromo-2-(chloromethyl)-1-(1-methylcyclopentyl)benzimidazole.

Molecular Properties

Compound Name6-bromo-2-(chloromethyl)-1-(1-methylcyclopentyl)benzimidazole
PubChem CID65346626
Molecular FormulaC14H16BrClN2
Molecular Weight327.65 g/mol
Exact Mass326.02
IUPAC Name6-bromo-2-(chloromethyl)-1-(1-methylcyclopentyl)benzimidazole
SMILESCC1(n2c(CCl)nc3ccc(Br)cc32)CCCC1
InChIInChI=1S/C14H16BrClN2/c1-14(6-2-3-7-14)18-12-8-10(15)4-5-11(12)17-13(18)9-16/h4-5,8H,2-3,6-7,9H2,1H3
InChIKeyHBIJZWNXYUYLRH-UHFFFAOYSA-N
XLogP4.83
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.65
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(chloromethyl)-5-fluoro-6-methyl-1-(1-methylcyclopentyl)benzimidazole
CID 103593802
6-bromo-2-(chloromethyl)-1-(2,2-dimethylcyclopropyl)benzimidazole
CID 65346703
2-(chloromethyl)-6-fluoro-1-(4-methyloxan-4-yl)benzimidazole
CID 113491217
6-bromo-2-(chloromethyl)-1-(2-methylpropyl)benzimidazole
CID 65345262
2-(chloromethyl)-3-(1-methylcyclopentyl)imidazo[4,5-b]pyridine
CID 79295049
5-bromo-2-(2-chloroethyl)-6-fluoro-1-(1-methylcyclohexyl)benzimidazole
CID 66086743
6-bromo-2-(chloromethyl)-1-(dicyclopropylmethyl)benzimidazole
CID 65346411
6-bromo-2-(chloromethyl)-1-(1-piperidin-1-ylpropan-2-yl)benzimidazole
CID 65346599
6-bromo-2-(chloromethyl)-1-[(5-methylfuran-2-yl)methyl]benzimidazole
CID 65346287
6-bromo-2-(chloromethyl)-1-(5-methylhexan-2-yl)benzimidazole
CID 65346159
6-bromo-1-(5-bromo-2-methylphenyl)-2-(chloromethyl)benzimidazole
CID 65344902
6-bromo-2-(2-chloroethyl)-1-piperidin-1-ylbenzimidazole
CID 83018928

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(chloromethyl)-1-(1-methylcyclopentyl)benzimidazole?
The IUPAC name of 6-bromo-2-(chloromethyl)-1-(1-methylcyclopentyl)benzimidazole (CID 65346626) is 6-bromo-2-(chloromethyl)-1-(1-methylcyclopentyl)benzimidazole.
What is the SMILES notation for 6-bromo-2-(chloromethyl)-1-(1-methylcyclopentyl)benzimidazole?
The canonical SMILES for 6-bromo-2-(chloromethyl)-1-(1-methylcyclopentyl)benzimidazole is CC1(n2c(CCl)nc3ccc(Br)cc32)CCCC1.
What is the InChIKey of 6-bromo-2-(chloromethyl)-1-(1-methylcyclopentyl)benzimidazole?
The InChIKey is HBIJZWNXYUYLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN2/c1-14(6-2-3-7-14)18-12-8-10(15)4-5-11(12)17-13(18)9-16/h4-5,8H,2-3,6-7,9H2,1H3.
What are the key properties of 6-bromo-2-(chloromethyl)-1-(1-methylcyclopentyl)benzimidazole?
6-bromo-2-(chloromethyl)-1-(1-methylcyclopentyl)benzimidazole has a molecular weight of 327.65 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(chloromethyl)-1-(1-methylcyclopentyl)benzimidazole is sourced from PubChem (CID 65346626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).