1-[(2,6-dimethylphenyl)methyl]-2-(2-fluorophenyl)-4-methoxybenzimidazole

C23H21FN2O — CID 507354

IUPAC1-[(2,6-dimethylphenyl)methyl]-2-(2-fluorophenyl)-4-methoxybenzimidazole
SMILESCOc1cccc2c1nc(-c1ccccc1F)n2Cc1c(C)cccc1C
InChIInChI=1S/C23H21FN2O/c1-15-8-6-9-16(2)18(15)14-26-20-12-7-13-21(27-3)22(20)25-23(26)17-10-4-5-11-19(17)24/h4-13H,14H2,1-3H3
InChIKeyHHDUCEUURNRZIH-UHFFFAOYSA-N
MW360.43 g/mol
LogP5.52
Rot. Bonds4

About 1-[(2,6-dimethylphenyl)methyl]-2-(2-fluorophenyl)-4-methoxybenzimidazole

1-[(2,6-dimethylphenyl)methyl]-2-(2-fluorophenyl)-4-methoxybenzimidazole (PubChem CID 507354) has the molecular formula C23H21FN2O and a molecular weight of 360.43 g/mol. Its IUPAC name is 1-[(2,6-dimethylphenyl)methyl]-2-(2-fluorophenyl)-4-methoxybenzimidazole.

Molecular Properties

Compound Name1-[(2,6-dimethylphenyl)methyl]-2-(2-fluorophenyl)-4-methoxybenzimidazole
PubChem CID507354
Molecular FormulaC23H21FN2O
Molecular Weight360.43 g/mol
Exact Mass360.16
IUPAC Name1-[(2,6-dimethylphenyl)methyl]-2-(2-fluorophenyl)-4-methoxybenzimidazole
SMILESCOc1cccc2c1nc(-c1ccccc1F)n2Cc1c(C)cccc1C
InChIInChI=1S/C23H21FN2O/c1-15-8-6-9-16(2)18(15)14-26-20-12-7-13-21(27-3)22(20)25-23(26)17-10-4-5-11-19(17)24/h4-13H,14H2,1-3H3
InChIKeyHHDUCEUURNRZIH-UHFFFAOYSA-N
XLogP5.52
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.43
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenyl)-4-methoxy-1-(naphthalen-1-ylmethyl)benzimidazole
CID 507380
1-(3,3-dichloroprop-2-enyl)-2-(2-fluorophenyl)-4-methoxybenzimidazole
CID 507391
2-[2-(2-fluorophenyl)-4-methoxybenzimidazol-1-yl]acetonitrile
CID 507394
1-[(2-chloro-6-fluorophenyl)methyl]-2-(2-fluorophenyl)benzimidazole
CID 19243364
2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]-4-prop-2-enoxybenzimidazole
CID 10386964
1-fluoro-2-(2-fluorophenyl)-3-methoxybenzene
CID 46312197
2-[2-[1-[(2,6-dimethylphenyl)methyl]-6-fluorobenzimidazol-2-yl]phenoxy]acetamide
CID 24995061
1-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)benzimidazole
CID 17000627
1,2-difluoro-3-(2-methoxyphenyl)benzene
CID 57230342
2-(2-fluorophenyl)-1-[2-(3-methoxyphenoxy)ethyl]benzimidazole
CID 19243301
4-methoxy-1-[(3-methyl-4-pyridinyl)methyl]benzimidazol-2-amine
CID 114701193
methyl 2-[2-(2-fluorophenyl)benzimidazol-1-yl]acetate
CID 17002230

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dimethylphenyl)methyl]-2-(2-fluorophenyl)-4-methoxybenzimidazole?
The IUPAC name of 1-[(2,6-dimethylphenyl)methyl]-2-(2-fluorophenyl)-4-methoxybenzimidazole (CID 507354) is 1-[(2,6-dimethylphenyl)methyl]-2-(2-fluorophenyl)-4-methoxybenzimidazole.
What is the SMILES notation for 1-[(2,6-dimethylphenyl)methyl]-2-(2-fluorophenyl)-4-methoxybenzimidazole?
The canonical SMILES for 1-[(2,6-dimethylphenyl)methyl]-2-(2-fluorophenyl)-4-methoxybenzimidazole is COc1cccc2c1nc(-c1ccccc1F)n2Cc1c(C)cccc1C.
What is the InChIKey of 1-[(2,6-dimethylphenyl)methyl]-2-(2-fluorophenyl)-4-methoxybenzimidazole?
The InChIKey is HHDUCEUURNRZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O/c1-15-8-6-9-16(2)18(15)14-26-20-12-7-13-21(27-3)22(20)25-23(26)17-10-4-5-11-19(17)24/h4-13H,14H2,1-3H3.
What are the key properties of 1-[(2,6-dimethylphenyl)methyl]-2-(2-fluorophenyl)-4-methoxybenzimidazole?
1-[(2,6-dimethylphenyl)methyl]-2-(2-fluorophenyl)-4-methoxybenzimidazole has a molecular weight of 360.43 g/mol, XLogP of 5.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dimethylphenyl)methyl]-2-(2-fluorophenyl)-4-methoxybenzimidazole is sourced from PubChem (CID 507354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).