2-(2-chloroethyl)-1-[(3-chlorophenyl)methyl]-5-fluorobenzimidazole

C16H13Cl2FN2 — CID 62533609

IUPAC2-(2-chloroethyl)-1-[(3-chlorophenyl)methyl]-5-fluorobenzimidazole
SMILESFc1ccc2c(c1)nc(CCCl)n2Cc1cccc(Cl)c1
InChIInChI=1S/C16H13Cl2FN2/c17-7-6-16-20-14-9-13(19)4-5-15(14)21(16)10-11-2-1-3-12(18)8-11/h1-5,8-9H,6-7,10H2
InChIKeyXCJYZRYWMUUZIL-UHFFFAOYSA-N
MW323.20 g/mol
LogP4.66
Rot. Bonds4

About 2-(2-chloroethyl)-1-[(3-chlorophenyl)methyl]-5-fluorobenzimidazole

2-(2-chloroethyl)-1-[(3-chlorophenyl)methyl]-5-fluorobenzimidazole (PubChem CID 62533609) has the molecular formula C16H13Cl2FN2 and a molecular weight of 323.20 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-[(3-chlorophenyl)methyl]-5-fluorobenzimidazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-[(3-chlorophenyl)methyl]-5-fluorobenzimidazole
PubChem CID62533609
Molecular FormulaC16H13Cl2FN2
Molecular Weight323.20 g/mol
Exact Mass322.04
IUPAC Name2-(2-chloroethyl)-1-[(3-chlorophenyl)methyl]-5-fluorobenzimidazole
SMILESFc1ccc2c(c1)nc(CCCl)n2Cc1cccc(Cl)c1
InChIInChI=1S/C16H13Cl2FN2/c17-7-6-16-20-14-9-13(19)4-5-15(14)21(16)10-11-2-1-3-12(18)8-11/h1-5,8-9H,6-7,10H2
InChIKeyXCJYZRYWMUUZIL-UHFFFAOYSA-N
XLogP4.66
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.20
LogP ≤ 54.66
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-1-[(4-fluorophenyl)methyl]benzimidazole
CID 43666558
2-(chloromethyl)-1-[(3-chlorophenyl)methyl]-6-fluorobenzimidazole
CID 62533960
2-(2-chloroethyl)-6-fluoro-1-[(3-methylphenyl)methyl]benzimidazole
CID 62376867
2-(2-chloroethyl)-1-[(3-chlorophenyl)methyl]-7-methylbenzimidazole
CID 115553408
2-(chloromethyl)-5-fluoro-1-[(3-methoxyphenyl)methyl]benzimidazole
CID 61029065
5-[[2-(2-chloroethyl)-5-fluorobenzimidazol-1-yl]methyl]-1,2-oxazole
CID 114186588
1-[(3-chlorophenyl)methyl]-2-ethylbenzimidazol-5-amine
CID 62533807
2-(chloromethyl)-5-fluoro-1-(pyridin-4-ylmethyl)benzimidazole
CID 43660334
[5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methanamine
CID 82332052
5-chloro-2-(chloromethyl)-1-[2-(3-fluorophenyl)ethyl]benzimidazole
CID 43659788
2-(2-chloroethyl)-1-(5-chloro-2-fluorophenyl)-5-fluorobenzimidazole
CID 43667556
2-benzyl-1-[(3-chlorophenyl)methyl]benzimidazole
CID 18879539

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-1-[(3-chlorophenyl)methyl]-5-fluorobenzimidazole?
The IUPAC name of 2-(2-chloroethyl)-1-[(3-chlorophenyl)methyl]-5-fluorobenzimidazole (CID 62533609) is 2-(2-chloroethyl)-1-[(3-chlorophenyl)methyl]-5-fluorobenzimidazole.
What is the SMILES notation for 2-(2-chloroethyl)-1-[(3-chlorophenyl)methyl]-5-fluorobenzimidazole?
The canonical SMILES for 2-(2-chloroethyl)-1-[(3-chlorophenyl)methyl]-5-fluorobenzimidazole is Fc1ccc2c(c1)nc(CCCl)n2Cc1cccc(Cl)c1.
What is the InChIKey of 2-(2-chloroethyl)-1-[(3-chlorophenyl)methyl]-5-fluorobenzimidazole?
The InChIKey is XCJYZRYWMUUZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2FN2/c17-7-6-16-20-14-9-13(19)4-5-15(14)21(16)10-11-2-1-3-12(18)8-11/h1-5,8-9H,6-7,10H2.
What are the key properties of 2-(2-chloroethyl)-1-[(3-chlorophenyl)methyl]-5-fluorobenzimidazole?
2-(2-chloroethyl)-1-[(3-chlorophenyl)methyl]-5-fluorobenzimidazole has a molecular weight of 323.20 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-1-[(3-chlorophenyl)methyl]-5-fluorobenzimidazole is sourced from PubChem (CID 62533609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).