1-[(2-fluorophenyl)methyl]-2-(1-phenoxyethyl)benzimidazole

C22H19FN2O — CID 18877735

IUPAC1-[(2-fluorophenyl)methyl]-2-(1-phenoxyethyl)benzimidazole
SMILESCC(Oc1ccccc1)c1nc2ccccc2n1Cc1ccccc1F
InChIInChI=1S/C22H19FN2O/c1-16(26-18-10-3-2-4-11-18)22-24-20-13-7-8-14-21(20)25(22)15-17-9-5-6-12-19(17)23/h2-14,16H,15H2,1H3
InChIKeyZJIZDVVFIXVSMF-UHFFFAOYSA-N
MW346.41 g/mol
LogP5.36
Rot. Bonds5

About 1-[(2-fluorophenyl)methyl]-2-(1-phenoxyethyl)benzimidazole

1-[(2-fluorophenyl)methyl]-2-(1-phenoxyethyl)benzimidazole (PubChem CID 18877735) has the molecular formula C22H19FN2O and a molecular weight of 346.41 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-2-(1-phenoxyethyl)benzimidazole.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-2-(1-phenoxyethyl)benzimidazole
PubChem CID18877735
Molecular FormulaC22H19FN2O
Molecular Weight346.41 g/mol
Exact Mass346.15
IUPAC Name1-[(2-fluorophenyl)methyl]-2-(1-phenoxyethyl)benzimidazole
SMILESCC(Oc1ccccc1)c1nc2ccccc2n1Cc1ccccc1F
InChIInChI=1S/C22H19FN2O/c1-16(26-18-10-3-2-4-11-18)22-24-20-13-7-8-14-21(20)25(22)15-17-9-5-6-12-19(17)23/h2-14,16H,15H2,1H3
InChIKeyZJIZDVVFIXVSMF-UHFFFAOYSA-N
XLogP5.36
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.41
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(2-fluorophenyl)methyl]-2-(1-phenoxyethyl)benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-2-(1-phenoxyethyl)benzimidazole
CID 2984876
2-[(1R)-1-phenoxyethyl]-1-(2-phenoxyethyl)benzimidazole
CID 7574593
1-[(2-fluorophenyl)methyl]-2-methylsulfanylbenzimidazole
CID 690627
propan-2-yl 2-[2-(1-phenoxyethyl)benzimidazol-1-yl]acetate
CID 16998895
(Z)-N-[1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-phenylprop-2-enamide
CID 16970291
1-[(2-fluorophenyl)methyl]benzimidazol-2-amine
CID 886688
1-[2-(3,5-dimethylphenoxy)ethyl]-2-(1-phenoxyethyl)benzimidazole
CID 16998835
N-[1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16967488
4-bromo-N-[1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009330
N-methyl-2-[2-(1-phenoxyethyl)benzimidazol-1-yl]-N-phenylacetamide
CID 16998881
N-[(1R)-1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 7007847
N-[(1S)-1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 7007875

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-2-(1-phenoxyethyl)benzimidazole?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-2-(1-phenoxyethyl)benzimidazole (CID 18877735) is 1-[(2-fluorophenyl)methyl]-2-(1-phenoxyethyl)benzimidazole.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-2-(1-phenoxyethyl)benzimidazole?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-2-(1-phenoxyethyl)benzimidazole is CC(Oc1ccccc1)c1nc2ccccc2n1Cc1ccccc1F.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-2-(1-phenoxyethyl)benzimidazole?
The InChIKey is ZJIZDVVFIXVSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O/c1-16(26-18-10-3-2-4-11-18)22-24-20-13-7-8-14-21(20)25(22)15-17-9-5-6-12-19(17)23/h2-14,16H,15H2,1H3.
What are the key properties of 1-[(2-fluorophenyl)methyl]-2-(1-phenoxyethyl)benzimidazole?
1-[(2-fluorophenyl)methyl]-2-(1-phenoxyethyl)benzimidazole has a molecular weight of 346.41 g/mol, XLogP of 5.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-2-(1-phenoxyethyl)benzimidazole is sourced from PubChem (CID 18877735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).