1-(5-bromo-2-methylphenyl)-2-(2-chloroethyl)-5-methylbenzimidazole

C17H16BrClN2 — CID 43806442

IUPAC1-(5-bromo-2-methylphenyl)-2-(2-chloroethyl)-5-methylbenzimidazole
SMILESCc1ccc2c(c1)nc(CCCl)n2-c1cc(Br)ccc1C
InChIInChI=1S/C17H16BrClN2/c1-11-3-6-15-14(9-11)20-17(7-8-19)21(15)16-10-13(18)5-4-12(16)2/h3-6,9-10H,7-8H2,1-2H3
InChIKeyQUUAVJSWUGNXKO-UHFFFAOYSA-N
MW363.69 g/mol
LogP5.19
Rot. Bonds3

About 1-(5-bromo-2-methylphenyl)-2-(2-chloroethyl)-5-methylbenzimidazole

1-(5-bromo-2-methylphenyl)-2-(2-chloroethyl)-5-methylbenzimidazole (PubChem CID 43806442) has the molecular formula C17H16BrClN2 and a molecular weight of 363.69 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenyl)-2-(2-chloroethyl)-5-methylbenzimidazole.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenyl)-2-(2-chloroethyl)-5-methylbenzimidazole
PubChem CID43806442
Molecular FormulaC17H16BrClN2
Molecular Weight363.69 g/mol
Exact Mass362.02
IUPAC Name1-(5-bromo-2-methylphenyl)-2-(2-chloroethyl)-5-methylbenzimidazole
SMILESCc1ccc2c(c1)nc(CCCl)n2-c1cc(Br)ccc1C
InChIInChI=1S/C17H16BrClN2/c1-11-3-6-15-14(9-11)20-17(7-8-19)21(15)16-10-13(18)5-4-12(16)2/h3-6,9-10H,7-8H2,1-2H3
InChIKeyQUUAVJSWUGNXKO-UHFFFAOYSA-N
XLogP5.19
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.69
LogP ≤ 55.19
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

1-(5-bromo-2-methylphenyl)-2-(2-chloroethyl)-5-iodobenzimidazole
CID 66081437
1-(5-bromo-2-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine
CID 79292378
1-(3-bromophenyl)-2-(2-chloroethyl)-5-methylbenzimidazole
CID 43666700
6-bromo-2-(2-chloroethyl)-1-(2,4-dimethylphenyl)benzimidazole
CID 65344743
1-(5-bromo-2-methylphenyl)-2-propylbenzimidazol-5-amine
CID 63495966
2-(2-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-methylbenzimidazole
CID 107637799
5-chloro-2-(2-chloroethyl)-1-(5-chloro-2-methylphenyl)benzimidazole
CID 43666678
1-(4-bromo-2-methylphenyl)-5-chloro-2-(2-chloroethyl)benzimidazole
CID 43666812
6-bromo-1-(5-bromo-2-methylphenyl)-2-(chloromethyl)benzimidazole
CID 65344902
1-(4-bromo-2-methylphenyl)-2-(2-chloroethyl)benzimidazole
CID 43666818
1-(4-bromo-3-methylphenyl)-2-(2-chloroethyl)-5-methylbenzimidazole
CID 43667361
1-(5-bromo-2-methylphenyl)-4-chloro-2-(2-chloroethyl)benzimidazole
CID 104837709

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylphenyl)-2-(2-chloroethyl)-5-methylbenzimidazole?
The IUPAC name of 1-(5-bromo-2-methylphenyl)-2-(2-chloroethyl)-5-methylbenzimidazole (CID 43806442) is 1-(5-bromo-2-methylphenyl)-2-(2-chloroethyl)-5-methylbenzimidazole.
What is the SMILES notation for 1-(5-bromo-2-methylphenyl)-2-(2-chloroethyl)-5-methylbenzimidazole?
The canonical SMILES for 1-(5-bromo-2-methylphenyl)-2-(2-chloroethyl)-5-methylbenzimidazole is Cc1ccc2c(c1)nc(CCCl)n2-c1cc(Br)ccc1C.
What is the InChIKey of 1-(5-bromo-2-methylphenyl)-2-(2-chloroethyl)-5-methylbenzimidazole?
The InChIKey is QUUAVJSWUGNXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClN2/c1-11-3-6-15-14(9-11)20-17(7-8-19)21(15)16-10-13(18)5-4-12(16)2/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 1-(5-bromo-2-methylphenyl)-2-(2-chloroethyl)-5-methylbenzimidazole?
1-(5-bromo-2-methylphenyl)-2-(2-chloroethyl)-5-methylbenzimidazole has a molecular weight of 363.69 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methylphenyl)-2-(2-chloroethyl)-5-methylbenzimidazole is sourced from PubChem (CID 43806442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).