2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole

C14H11FN2O — CID 83402422

IUPAC2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole
SMILESCOc1ccc(-c2nc3ccccc3[nH]2)c(F)c1
InChIInChI=1S/C14H11FN2O/c1-18-9-6-7-10(11(15)8-9)14-16-12-4-2-3-5-13(12)17-14/h2-8H,1H3,(H,16,17)
InChIKeyPBXCSZAACBMUIS-UHFFFAOYSA-N
MW242.25 g/mol
LogP3.38
Rot. Bonds2

About 2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole

2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole (PubChem CID 83402422) has the molecular formula C14H11FN2O and a molecular weight of 242.25 g/mol. Its IUPAC name is 2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole
PubChem CID83402422
Molecular FormulaC14H11FN2O
Molecular Weight242.25 g/mol
Exact Mass242.09
IUPAC Name2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole
SMILESCOc1ccc(-c2nc3ccccc3[nH]2)c(F)c1
InChIInChI=1S/C14H11FN2O/c1-18-9-6-7-10(11(15)8-9)14-16-12-4-2-3-5-13(12)17-14/h2-8H,1H3,(H,16,17)
InChIKeyPBXCSZAACBMUIS-UHFFFAOYSA-N
XLogP3.38
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-2-fluorophenyl)-6-methoxy-1H-benzimidazole
CID 65018051
2-(2-fluorophenyl)-6-methoxy-1H-benzimidazole
CID 65017607
6-bromo-2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole
CID 102883699
2-(1H-benzimidazol-2-yl)-4-methoxyphenol
CID 135463022
2-(6-methoxynaphthalen-2-yl)-1H-benzimidazole
CID 56925290
2-[2-(1H-benzimidazol-2-yl)-5-[4-(1H-benzimidazol-2-yl)-3-(6-methoxy-1H-benzimidazol-2-yl)phenoxy]phenyl]-6-methyl-1H-benzimidazole
CID 59762586
2-[4-(4-dodecoxyphenyl)-2-fluorophenyl]-1H-benzimidazole
CID 177460870
2-(2,5-difluorophenyl)-1H-benzimidazole
CID 43348986
3-(1H-benzimidazol-2-yl)-6-methoxy-1,4-dimethyl-9H-carbazole
CID 168554394
6-methoxy-2-naphthalen-1-yl-1H-benzimidazole
CID 65017512
4-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)-N-methylaniline
CID 168555273
2-(3-fluoro-4,5-dimethoxyphenyl)-1H-benzimidazole
CID 168555207

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole?
The IUPAC name of 2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole (CID 83402422) is 2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole.
What is the SMILES notation for 2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole?
The canonical SMILES for 2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole is COc1ccc(-c2nc3ccccc3[nH]2)c(F)c1.
What is the InChIKey of 2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole?
The InChIKey is PBXCSZAACBMUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O/c1-18-9-6-7-10(11(15)8-9)14-16-12-4-2-3-5-13(12)17-14/h2-8H,1H3,(H,16,17).
What are the key properties of 2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole?
2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole has a molecular weight of 242.25 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole is sourced from PubChem (CID 83402422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).