6-chloro-2-(2-chloroethyl)-1-[(2-fluorophenyl)methyl]benzimidazole

C16H13Cl2FN2 — CID 115470803

IUPAC6-chloro-2-(2-chloroethyl)-1-[(2-fluorophenyl)methyl]benzimidazole
SMILESFc1ccccc1Cn1c(CCCl)nc2ccc(Cl)cc21
InChIInChI=1S/C16H13Cl2FN2/c17-8-7-16-20-14-6-5-12(18)9-15(14)21(16)10-11-3-1-2-4-13(11)19/h1-6,9H,7-8,10H2
InChIKeyFVHPZZYIQHZNRI-UHFFFAOYSA-N
MW323.20 g/mol
LogP4.66
Rot. Bonds4

About 6-chloro-2-(2-chloroethyl)-1-[(2-fluorophenyl)methyl]benzimidazole

6-chloro-2-(2-chloroethyl)-1-[(2-fluorophenyl)methyl]benzimidazole (PubChem CID 115470803) has the molecular formula C16H13Cl2FN2 and a molecular weight of 323.20 g/mol. Its IUPAC name is 6-chloro-2-(2-chloroethyl)-1-[(2-fluorophenyl)methyl]benzimidazole.

Molecular Properties

Compound Name6-chloro-2-(2-chloroethyl)-1-[(2-fluorophenyl)methyl]benzimidazole
PubChem CID115470803
Molecular FormulaC16H13Cl2FN2
Molecular Weight323.20 g/mol
Exact Mass322.04
IUPAC Name6-chloro-2-(2-chloroethyl)-1-[(2-fluorophenyl)methyl]benzimidazole
SMILESFc1ccccc1Cn1c(CCCl)nc2ccc(Cl)cc21
InChIInChI=1S/C16H13Cl2FN2/c17-8-7-16-20-14-6-5-12(18)9-15(14)21(16)10-11-3-1-2-4-13(11)19/h1-6,9H,7-8,10H2
InChIKeyFVHPZZYIQHZNRI-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

6-bromo-2-(chloromethyl)-1-[(2-fluorophenyl)methyl]benzimidazole
CID 65344878
6-bromo-2-(2-chloroethyl)-1-[(2-chlorophenyl)methyl]benzimidazole
CID 65345066
1-[(5-chloro-2-fluorophenyl)methyl]-2-propylbenzimidazole
CID 103050144
6-chloro-2-(2-chloroethyl)-1-[2-(furan-2-yl)ethyl]benzimidazole
CID 115471213
6-chloro-2-(2-chloroethyl)-1-[(5-ethylthiophen-2-yl)methyl]benzimidazole
CID 106005408
6-chloro-2-(2-chloroethyl)-1-[(2-methylpyrazol-3-yl)methyl]benzimidazole
CID 115471520
6-chloro-2-(2-chloroethyl)-1-(3-methylbutyl)benzimidazole
CID 113316238
6-chloro-2-(2-chloroethyl)-1-(cyclopentylmethyl)benzimidazole
CID 115471068
6-chloro-2-(2-chloroethyl)-1-(2-methylbutyl)benzimidazole
CID 115471463
2-[(4-chlorophenyl)sulfanylmethyl]-1-[(2-fluorophenyl)methyl]benzimidazole
CID 18878248
1,2-dibenzyl-6-chlorobenzimidazole
CID 46311010
6-chloro-2-(2-chloroethyl)-1-(4-methylpentyl)benzimidazole
CID 113316360

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2-chloroethyl)-1-[(2-fluorophenyl)methyl]benzimidazole?
The IUPAC name of 6-chloro-2-(2-chloroethyl)-1-[(2-fluorophenyl)methyl]benzimidazole (CID 115470803) is 6-chloro-2-(2-chloroethyl)-1-[(2-fluorophenyl)methyl]benzimidazole.
What is the SMILES notation for 6-chloro-2-(2-chloroethyl)-1-[(2-fluorophenyl)methyl]benzimidazole?
The canonical SMILES for 6-chloro-2-(2-chloroethyl)-1-[(2-fluorophenyl)methyl]benzimidazole is Fc1ccccc1Cn1c(CCCl)nc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-2-(2-chloroethyl)-1-[(2-fluorophenyl)methyl]benzimidazole?
The InChIKey is FVHPZZYIQHZNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2FN2/c17-8-7-16-20-14-6-5-12(18)9-15(14)21(16)10-11-3-1-2-4-13(11)19/h1-6,9H,7-8,10H2.
What are the key properties of 6-chloro-2-(2-chloroethyl)-1-[(2-fluorophenyl)methyl]benzimidazole?
6-chloro-2-(2-chloroethyl)-1-[(2-fluorophenyl)methyl]benzimidazole 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 6-chloro-2-(2-chloroethyl)-1-[(2-fluorophenyl)methyl]benzimidazole is sourced from PubChem (CID 115470803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).