2-(1-chloroethyl)-5-fluoro-1-(3-fluorophenyl)-6-methylbenzimidazole

C16H13ClF2N2 — CID 103593292

IUPAC2-(1-chloroethyl)-5-fluoro-1-(3-fluorophenyl)-6-methylbenzimidazole
SMILESCc1cc2c(cc1F)nc(C(C)Cl)n2-c1cccc(F)c1
InChIInChI=1S/C16H13ClF2N2/c1-9-6-15-14(8-13(9)19)20-16(10(2)17)21(15)12-5-3-4-11(18)7-12/h3-8,10H,1-2H3
InChIKeyDMNSRSUJNDQSBU-UHFFFAOYSA-N
MW306.74 g/mol
LogP4.91
Rot. Bonds2

About 2-(1-chloroethyl)-5-fluoro-1-(3-fluorophenyl)-6-methylbenzimidazole

2-(1-chloroethyl)-5-fluoro-1-(3-fluorophenyl)-6-methylbenzimidazole (PubChem CID 103593292) has the molecular formula C16H13ClF2N2 and a molecular weight of 306.74 g/mol. Its IUPAC name is 2-(1-chloroethyl)-5-fluoro-1-(3-fluorophenyl)-6-methylbenzimidazole.

Molecular Properties

Compound Name2-(1-chloroethyl)-5-fluoro-1-(3-fluorophenyl)-6-methylbenzimidazole
PubChem CID103593292
Molecular FormulaC16H13ClF2N2
Molecular Weight306.74 g/mol
Exact Mass306.07
IUPAC Name2-(1-chloroethyl)-5-fluoro-1-(3-fluorophenyl)-6-methylbenzimidazole
SMILESCc1cc2c(cc1F)nc(C(C)Cl)n2-c1cccc(F)c1
InChIInChI=1S/C16H13ClF2N2/c1-9-6-15-14(8-13(9)19)20-16(10(2)17)21(15)12-5-3-4-11(18)7-12/h3-8,10H,1-2H3
InChIKeyDMNSRSUJNDQSBU-UHFFFAOYSA-N
XLogP4.91
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.74
LogP ≤ 54.91
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-(1-chloroethyl)-1-(3-chlorophenyl)-5-fluoro-6-methylbenzimidazole
CID 103593289
2-(1-chloroethyl)-1-(3-fluorophenyl)-5-iodobenzimidazole
CID 66081816
2-(1-chloroethyl)-5-fluoro-6-methyl-1-(2-methylphenyl)benzimidazole
CID 103593361
5-fluoro-1-(3-fluorophenyl)-6-methylbenzimidazol-2-amine
CID 103592659
5-chloro-2-(1-chloroethyl)-6-fluoro-1-(3-methylphenyl)benzimidazole
CID 66110811
5-bromo-2-(1-chloroethyl)-6-fluoro-1-(3-methylphenyl)benzimidazole
CID 66088494
2-(1-chloroethyl)-3-(3-fluorophenyl)-6-methylimidazo[4,5-b]pyridine
CID 79301562
5-bromo-2-(1-chloroethyl)-1-(3-chlorophenyl)-6-fluorobenzimidazole
CID 66086140
2-(1-chloroethyl)-1-(3-fluorophenyl)benzimidazole-4-carbonitrile
CID 104719265
2-(1-chloroethyl)-5-fluoro-N,N,6-trimethylbenzimidazol-1-amine
CID 103593916
2-(1-chloroethyl)-1-(3-chlorophenyl)-5-methylbenzimidazole
CID 43666722
2-(1-chloroethyl)-6,7-difluoro-1-(3-methylphenyl)benzimidazole
CID 63547243

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-5-fluoro-1-(3-fluorophenyl)-6-methylbenzimidazole?
The IUPAC name of 2-(1-chloroethyl)-5-fluoro-1-(3-fluorophenyl)-6-methylbenzimidazole (CID 103593292) is 2-(1-chloroethyl)-5-fluoro-1-(3-fluorophenyl)-6-methylbenzimidazole.
What is the SMILES notation for 2-(1-chloroethyl)-5-fluoro-1-(3-fluorophenyl)-6-methylbenzimidazole?
The canonical SMILES for 2-(1-chloroethyl)-5-fluoro-1-(3-fluorophenyl)-6-methylbenzimidazole is Cc1cc2c(cc1F)nc(C(C)Cl)n2-c1cccc(F)c1.
What is the InChIKey of 2-(1-chloroethyl)-5-fluoro-1-(3-fluorophenyl)-6-methylbenzimidazole?
The InChIKey is DMNSRSUJNDQSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF2N2/c1-9-6-15-14(8-13(9)19)20-16(10(2)17)21(15)12-5-3-4-11(18)7-12/h3-8,10H,1-2H3.
What are the key properties of 2-(1-chloroethyl)-5-fluoro-1-(3-fluorophenyl)-6-methylbenzimidazole?
2-(1-chloroethyl)-5-fluoro-1-(3-fluorophenyl)-6-methylbenzimidazole has a molecular weight of 306.74 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-5-fluoro-1-(3-fluorophenyl)-6-methylbenzimidazole is sourced from PubChem (CID 103593292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).