2-(chloromethyl)-1-(2-ethylphenyl)-5-fluoro-6-methylbenzimidazole

C17H16ClFN2 — CID 103593316

IUPAC2-(chloromethyl)-1-(2-ethylphenyl)-5-fluoro-6-methylbenzimidazole
SMILESCCc1ccccc1-n1c(CCl)nc2cc(F)c(C)cc21
InChIInChI=1S/C17H16ClFN2/c1-3-12-6-4-5-7-15(12)21-16-8-11(2)13(19)9-14(16)20-17(21)10-18/h4-9H,3,10H2,1-2H3
InChIKeyRFJZLGYAOCZFCJ-UHFFFAOYSA-N
MW302.78 g/mol
LogP4.77
Rot. Bonds3

About 2-(chloromethyl)-1-(2-ethylphenyl)-5-fluoro-6-methylbenzimidazole

2-(chloromethyl)-1-(2-ethylphenyl)-5-fluoro-6-methylbenzimidazole (PubChem CID 103593316) has the molecular formula C17H16ClFN2 and a molecular weight of 302.78 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(2-ethylphenyl)-5-fluoro-6-methylbenzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-1-(2-ethylphenyl)-5-fluoro-6-methylbenzimidazole
PubChem CID103593316
Molecular FormulaC17H16ClFN2
Molecular Weight302.78 g/mol
Exact Mass302.10
IUPAC Name2-(chloromethyl)-1-(2-ethylphenyl)-5-fluoro-6-methylbenzimidazole
SMILESCCc1ccccc1-n1c(CCl)nc2cc(F)c(C)cc21
InChIInChI=1S/C17H16ClFN2/c1-3-12-6-4-5-7-15(12)21-16-8-11(2)13(19)9-14(16)20-17(21)10-18/h4-9H,3,10H2,1-2H3
InChIKeyRFJZLGYAOCZFCJ-UHFFFAOYSA-N
XLogP4.77
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.78
LogP ≤ 54.77
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-(2-chloroethyl)-5-fluoro-6-methyl-1-(2-methylphenyl)benzimidazole
CID 103593360
6-bromo-2-(chloromethyl)-5-fluoro-1-(2-methylphenyl)benzimidazole
CID 116738729
2-(chloromethyl)-1-(2-ethylphenyl)-6,7-difluorobenzimidazole
CID 63547054
1-(5-bromo-2-chlorophenyl)-2-(chloromethyl)-5-fluoro-6-methylbenzimidazole
CID 103593684
2-(chloromethyl)-5-fluoro-1-(3-iodophenyl)-6-methylbenzimidazole
CID 103593303
2-(chloromethyl)-3-(2-ethylphenyl)-5-methylimidazo[4,5-b]pyridine
CID 81135805
2-(2-chloroethyl)-5-fluoro-6-methyl-1-phenylbenzimidazole
CID 103593331
5-bromo-2-(chloromethyl)-6-fluoro-1-(3-fluoro-2-methylphenyl)benzimidazole
CID 66087694
1-(3-bromo-2-methylphenyl)-5-chloro-2-(chloromethyl)-6-fluorobenzimidazole
CID 107637715
6-bromo-2-(chloromethyl)-3-(2-ethylphenyl)imidazo[4,5-b]pyridine
CID 79302952
2-[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]benzonitrile
CID 116738695
2-(chloromethyl)-3-(2-ethylphenyl)quinazolin-4-one
CID 61064059

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(2-ethylphenyl)-5-fluoro-6-methylbenzimidazole?
The IUPAC name of 2-(chloromethyl)-1-(2-ethylphenyl)-5-fluoro-6-methylbenzimidazole (CID 103593316) is 2-(chloromethyl)-1-(2-ethylphenyl)-5-fluoro-6-methylbenzimidazole.
What is the SMILES notation for 2-(chloromethyl)-1-(2-ethylphenyl)-5-fluoro-6-methylbenzimidazole?
The canonical SMILES for 2-(chloromethyl)-1-(2-ethylphenyl)-5-fluoro-6-methylbenzimidazole is CCc1ccccc1-n1c(CCl)nc2cc(F)c(C)cc21.
What is the InChIKey of 2-(chloromethyl)-1-(2-ethylphenyl)-5-fluoro-6-methylbenzimidazole?
The InChIKey is RFJZLGYAOCZFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2/c1-3-12-6-4-5-7-15(12)21-16-8-11(2)13(19)9-14(16)20-17(21)10-18/h4-9H,3,10H2,1-2H3.
What are the key properties of 2-(chloromethyl)-1-(2-ethylphenyl)-5-fluoro-6-methylbenzimidazole?
2-(chloromethyl)-1-(2-ethylphenyl)-5-fluoro-6-methylbenzimidazole has a molecular weight of 302.78 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 2-(chloromethyl)-1-(2-ethylphenyl)-5-fluoro-6-methylbenzimidazole is sourced from PubChem (CID 103593316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).