5-bromo-2-(2-chloroethyl)-6-fluoro-1-(2-imidazol-1-ylethyl)benzimidazole

C14H13BrClFN4 — CID 66086160

IUPAC5-bromo-2-(2-chloroethyl)-6-fluoro-1-(2-imidazol-1-ylethyl)benzimidazole
SMILESFc1cc2c(cc1Br)nc(CCCl)n2CCn1ccnc1
InChIInChI=1S/C14H13BrClFN4/c15-10-7-12-13(8-11(10)17)21(14(19-12)1-2-16)6-5-20-4-3-18-9-20/h3-4,7-9H,1-2,5-6H2
InChIKeyCZOMCJIGJSLIKY-UHFFFAOYSA-N
MW371.64 g/mol
LogP3.62
Rot. Bonds5

About 5-bromo-2-(2-chloroethyl)-6-fluoro-1-(2-imidazol-1-ylethyl)benzimidazole

5-bromo-2-(2-chloroethyl)-6-fluoro-1-(2-imidazol-1-ylethyl)benzimidazole (PubChem CID 66086160) has the molecular formula C14H13BrClFN4 and a molecular weight of 371.64 g/mol. Its IUPAC name is 5-bromo-2-(2-chloroethyl)-6-fluoro-1-(2-imidazol-1-ylethyl)benzimidazole.

Molecular Properties

Compound Name5-bromo-2-(2-chloroethyl)-6-fluoro-1-(2-imidazol-1-ylethyl)benzimidazole
PubChem CID66086160
Molecular FormulaC14H13BrClFN4
Molecular Weight371.64 g/mol
Exact Mass370.00
IUPAC Name5-bromo-2-(2-chloroethyl)-6-fluoro-1-(2-imidazol-1-ylethyl)benzimidazole
SMILESFc1cc2c(cc1Br)nc(CCCl)n2CCn1ccnc1
InChIInChI=1S/C14H13BrClFN4/c15-10-7-12-13(8-11(10)17)21(14(19-12)1-2-16)6-5-20-4-3-18-9-20/h3-4,7-9H,1-2,5-6H2
InChIKeyCZOMCJIGJSLIKY-UHFFFAOYSA-N
XLogP3.62
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.64
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloroethyl)-4,6-difluoro-1-(2-imidazol-1-ylethyl)benzimidazole
CID 115509278
6-chloro-2-(2-chloroethyl)-1-(2-imidazol-1-ylethyl)benzimidazole
CID 115471182
5-bromo-2-(chloromethyl)-1-(2-imidazol-1-ylethyl)benzimidazole
CID 55139198
6-bromo-2-(2-chloroethyl)-3-(2-imidazol-1-ylethyl)imidazo[4,5-b]pyridine
CID 79301903
2-(chloromethyl)-6-fluoro-1-(2-imidazol-1-ylethyl)benzimidazole
CID 62375839
N-[2-[5-bromo-2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]ethyl]-N-methylcyclopropanamine
CID 66087147
5-bromo-2-(2-chloroethyl)-1-(cyclopentylmethyl)-6-fluorobenzimidazole
CID 66088505
5-bromo-2-(2-chloroethyl)-6-fluoro-1-(pyridin-2-ylmethyl)benzimidazole
CID 66088069
5-bromo-2-(2-chloroethyl)-6-fluoro-1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazole
CID 106020491
2-(2-chloroethyl)-1-(2-imidazol-1-ylethyl)-7-methylbenzimidazole
CID 115553110
6-bromo-2-(2-chloroethyl)-5-fluoro-1-(pyridin-3-ylmethyl)benzimidazole
CID 116738645
5-bromo-1-(4-bromophenyl)-2-(2-chloroethyl)-6-fluorobenzimidazole
CID 66088492

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-chloroethyl)-6-fluoro-1-(2-imidazol-1-ylethyl)benzimidazole?
The IUPAC name of 5-bromo-2-(2-chloroethyl)-6-fluoro-1-(2-imidazol-1-ylethyl)benzimidazole (CID 66086160) is 5-bromo-2-(2-chloroethyl)-6-fluoro-1-(2-imidazol-1-ylethyl)benzimidazole.
What is the SMILES notation for 5-bromo-2-(2-chloroethyl)-6-fluoro-1-(2-imidazol-1-ylethyl)benzimidazole?
The canonical SMILES for 5-bromo-2-(2-chloroethyl)-6-fluoro-1-(2-imidazol-1-ylethyl)benzimidazole is Fc1cc2c(cc1Br)nc(CCCl)n2CCn1ccnc1.
What is the InChIKey of 5-bromo-2-(2-chloroethyl)-6-fluoro-1-(2-imidazol-1-ylethyl)benzimidazole?
The InChIKey is CZOMCJIGJSLIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClFN4/c15-10-7-12-13(8-11(10)17)21(14(19-12)1-2-16)6-5-20-4-3-18-9-20/h3-4,7-9H,1-2,5-6H2.
What are the key properties of 5-bromo-2-(2-chloroethyl)-6-fluoro-1-(2-imidazol-1-ylethyl)benzimidazole?
5-bromo-2-(2-chloroethyl)-6-fluoro-1-(2-imidazol-1-ylethyl)benzimidazole has a molecular weight of 371.64 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-chloroethyl)-6-fluoro-1-(2-imidazol-1-ylethyl)benzimidazole is sourced from PubChem (CID 66086160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).