1-[(2-fluoro-4-methoxyphenyl)methyl]-2-methylbenzimidazole

C16H15FN2O — CID 102879181

IUPAC1-[(2-fluoro-4-methoxyphenyl)methyl]-2-methylbenzimidazole
SMILESCOc1ccc(Cn2c(C)nc3ccccc32)c(F)c1
InChIInChI=1S/C16H15FN2O/c1-11-18-15-5-3-4-6-16(15)19(11)10-12-7-8-13(20-2)9-14(12)17/h3-9H,10H2,1-2H3
InChIKeyNZBQYZXSOLNTPW-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.54
Rot. Bonds3

About 1-[(2-fluoro-4-methoxyphenyl)methyl]-2-methylbenzimidazole

1-[(2-fluoro-4-methoxyphenyl)methyl]-2-methylbenzimidazole (PubChem CID 102879181) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is 1-[(2-fluoro-4-methoxyphenyl)methyl]-2-methylbenzimidazole.

Molecular Properties

Compound Name1-[(2-fluoro-4-methoxyphenyl)methyl]-2-methylbenzimidazole
PubChem CID102879181
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name1-[(2-fluoro-4-methoxyphenyl)methyl]-2-methylbenzimidazole
SMILESCOc1ccc(Cn2c(C)nc3ccccc32)c(F)c1
InChIInChI=1S/C16H15FN2O/c1-11-18-15-5-3-4-6-16(15)19(11)10-12-7-8-13(20-2)9-14(12)17/h3-9H,10H2,1-2H3
InChIKeyNZBQYZXSOLNTPW-UHFFFAOYSA-N
XLogP3.54
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[[2-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole
CID 154733183
1-[(2-methoxyphenyl)methyl]-2-methylbenzimidazole
CID 940002
1-[(2-chloro-3-fluorophenyl)methyl]-2-methylbenzimidazole
CID 112654456
1-[(2,5-dichlorophenyl)methyl]-6-methoxy-2-methylbenzimidazole
CID 90027577
1-[(2-chlorophenyl)methyl]-2-methylbenzimidazole
CID 709571
2-cyclopropyl-1-[(2-fluorophenyl)methyl]-5-methoxybenzimidazole
CID 83420113
2-[[4-[(2-fluoro-5-methoxyphenyl)methyl]piperazin-1-yl]methyl]-1-[(2-methoxyphenyl)methyl]benzimidazole
CID 10151959
(4R)-4-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 7011264
2-(4-methoxyphenyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 40716430
2-fluoro-3-[(2-methylbenzimidazol-1-yl)methyl]benzoic acid
CID 107119584
1-[(2-chloro-3-pyridinyl)methyl]-2-methylbenzimidazole
CID 62470224
2-(3,5-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]benzimidazole
CID 20930563

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-4-methoxyphenyl)methyl]-2-methylbenzimidazole?
The IUPAC name of 1-[(2-fluoro-4-methoxyphenyl)methyl]-2-methylbenzimidazole (CID 102879181) is 1-[(2-fluoro-4-methoxyphenyl)methyl]-2-methylbenzimidazole.
What is the SMILES notation for 1-[(2-fluoro-4-methoxyphenyl)methyl]-2-methylbenzimidazole?
The canonical SMILES for 1-[(2-fluoro-4-methoxyphenyl)methyl]-2-methylbenzimidazole is COc1ccc(Cn2c(C)nc3ccccc32)c(F)c1.
What is the InChIKey of 1-[(2-fluoro-4-methoxyphenyl)methyl]-2-methylbenzimidazole?
The InChIKey is NZBQYZXSOLNTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c1-11-18-15-5-3-4-6-16(15)19(11)10-12-7-8-13(20-2)9-14(12)17/h3-9H,10H2,1-2H3.
What are the key properties of 1-[(2-fluoro-4-methoxyphenyl)methyl]-2-methylbenzimidazole?
1-[(2-fluoro-4-methoxyphenyl)methyl]-2-methylbenzimidazole has a molecular weight of 270.31 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-4-methoxyphenyl)methyl]-2-methylbenzimidazole is sourced from PubChem (CID 102879181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).