2-(2-chloroethyl)-5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazole

C16H13ClF2N2 — CID 43666558

IUPAC2-(2-chloroethyl)-5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazole
SMILESFc1ccc(Cn2c(CCCl)nc3cc(F)ccc32)cc1
InChIInChI=1S/C16H13ClF2N2/c17-8-7-16-20-14-9-13(19)5-6-15(14)21(16)10-11-1-3-12(18)4-2-11/h1-6,9H,7-8,10H2
InChIKeyFVZILUDBIWISPO-UHFFFAOYSA-N
MW306.74 g/mol
LogP4.14
Rot. Bonds4

About 2-(2-chloroethyl)-5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazole

2-(2-chloroethyl)-5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazole (PubChem CID 43666558) has the molecular formula C16H13ClF2N2 and a molecular weight of 306.74 g/mol. Its IUPAC name is 2-(2-chloroethyl)-5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazole
PubChem CID43666558
Molecular FormulaC16H13ClF2N2
Molecular Weight306.74 g/mol
Exact Mass306.07
IUPAC Name2-(2-chloroethyl)-5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazole
SMILESFc1ccc(Cn2c(CCCl)nc3cc(F)ccc32)cc1
InChIInChI=1S/C16H13ClF2N2/c17-8-7-16-20-14-9-13(19)5-6-15(14)21(16)10-11-1-3-12(18)4-2-11/h1-6,9H,7-8,10H2
InChIKeyFVZILUDBIWISPO-UHFFFAOYSA-N
XLogP4.14
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.74
LogP ≤ 54.14
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)-1-[(3-chlorophenyl)methyl]-5-fluorobenzimidazole
CID 62533609
[5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methanamine
CID 82332052
5-[[2-(2-chloroethyl)-5-fluorobenzimidazol-1-yl]methyl]-1,2-oxazole
CID 114186588
2-(chloromethyl)-5-fluoro-1-(pyridin-4-ylmethyl)benzimidazole
CID 43660334
5-bromo-1-[(4-bromophenyl)methyl]-2-(2-chloroethyl)benzimidazole
CID 60780183
5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazol-2-amine
CID 43661623
[5-fluoro-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methanamine
CID 82332049
2-(2-chloroethyl)-1-[2-(4-fluorophenyl)ethyl]benzimidazole
CID 43666246
2-(2-chloroethyl)-5-fluoro-1-(2-pyrrolidin-1-ylethyl)benzimidazole
CID 62641115
2-(2-chloroethyl)-5-fluoro-1-[2-(1-methylpyrazol-4-yl)ethyl]benzimidazole
CID 80685395
2-(2-chloroethyl)-6-fluoro-1-[(3-methylphenyl)methyl]benzimidazole
CID 62376867
2-(2-chloroethyl)-5-fluoro-1-[(1-methylcyclopentyl)methyl]benzimidazole
CID 63831945

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazole?
The IUPAC name of 2-(2-chloroethyl)-5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazole (CID 43666558) is 2-(2-chloroethyl)-5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazole.
What is the SMILES notation for 2-(2-chloroethyl)-5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazole?
The canonical SMILES for 2-(2-chloroethyl)-5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazole is Fc1ccc(Cn2c(CCCl)nc3cc(F)ccc32)cc1.
What is the InChIKey of 2-(2-chloroethyl)-5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazole?
The InChIKey is FVZILUDBIWISPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF2N2/c17-8-7-16-20-14-9-13(19)5-6-15(14)21(16)10-11-1-3-12(18)4-2-11/h1-6,9H,7-8,10H2.
What are the key properties of 2-(2-chloroethyl)-5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazole?
2-(2-chloroethyl)-5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazole has a molecular weight of 306.74 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazole is sourced from PubChem (CID 43666558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).