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

C14H10ClFN2O — CID 64723337

IUPAC2-(4-chloro-2-methoxyphenyl)-4-fluoro-1H-benzimidazole
SMILESCOc1cc(Cl)ccc1-c1nc2c(F)cccc2[nH]1
InChIInChI=1S/C14H10ClFN2O/c1-19-12-7-8(15)5-6-9(12)14-17-11-4-2-3-10(16)13(11)18-14/h2-7H,1H3,(H,17,18)
InChIKeyZXWDBZXPAKYFNT-UHFFFAOYSA-N
MW276.70 g/mol
LogP4.03
Rot. Bonds2

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

2-(4-chloro-2-methoxyphenyl)-4-fluoro-1H-benzimidazole (PubChem CID 64723337) has the molecular formula C14H10ClFN2O and a molecular weight of 276.70 g/mol. Its IUPAC name is 2-(4-chloro-2-methoxyphenyl)-4-fluoro-1H-benzimidazole.

Molecular Properties

Compound Name2-(4-chloro-2-methoxyphenyl)-4-fluoro-1H-benzimidazole
PubChem CID64723337
Molecular FormulaC14H10ClFN2O
Molecular Weight276.70 g/mol
Exact Mass276.05
IUPAC Name2-(4-chloro-2-methoxyphenyl)-4-fluoro-1H-benzimidazole
SMILESCOc1cc(Cl)ccc1-c1nc2c(F)cccc2[nH]1
InChIInChI=1S/C14H10ClFN2O/c1-19-12-7-8(15)5-6-9(12)14-17-11-4-2-3-10(16)13(11)18-14/h2-7H,1H3,(H,17,18)
InChIKeyZXWDBZXPAKYFNT-UHFFFAOYSA-N
XLogP4.03
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.70
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-2-methoxyphenyl)-1H-benzimidazol-4-amine
CID 63693175
4-fluoro-2-(2-methoxy-5-methylphenyl)-1H-benzimidazole
CID 64721931
4-fluoro-2-(2-fluoro-6-methoxyphenyl)-1H-benzimidazole
CID 65434615
2-(3,5-dimethoxyphenyl)-4-fluoro-1H-benzimidazole
CID 60977992
2-(2,3-dichlorophenyl)-4-fluoro-1H-benzimidazole
CID 60977717
2-(4-chloro-1H-benzimidazol-2-yl)-4,5-dimethoxyaniline
CID 60786590
2-(4-chloro-2-methoxyphenyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136980758
2-(2,3-difluorophenyl)-4-fluoro-1H-benzimidazole
CID 64723548
3-(4-fluoro-1H-benzimidazol-2-yl)-2-methylphenol
CID 82829916
methyl 2-[4-chloro-2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxylate
CID 67201064
4-chloro-2-(2,4-dimethoxyphenyl)-1H-imidazo[4,5-c]pyridine
CID 13175389
4-fluoro-2-(2-iodophenyl)-1H-benzimidazole
CID 60979206

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methoxyphenyl)-4-fluoro-1H-benzimidazole?
The IUPAC name of 2-(4-chloro-2-methoxyphenyl)-4-fluoro-1H-benzimidazole (CID 64723337) is 2-(4-chloro-2-methoxyphenyl)-4-fluoro-1H-benzimidazole.
What is the SMILES notation for 2-(4-chloro-2-methoxyphenyl)-4-fluoro-1H-benzimidazole?
The canonical SMILES for 2-(4-chloro-2-methoxyphenyl)-4-fluoro-1H-benzimidazole is COc1cc(Cl)ccc1-c1nc2c(F)cccc2[nH]1.
What is the InChIKey of 2-(4-chloro-2-methoxyphenyl)-4-fluoro-1H-benzimidazole?
The InChIKey is ZXWDBZXPAKYFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O/c1-19-12-7-8(15)5-6-9(12)14-17-11-4-2-3-10(16)13(11)18-14/h2-7H,1H3,(H,17,18).
What are the key properties of 2-(4-chloro-2-methoxyphenyl)-4-fluoro-1H-benzimidazole?
2-(4-chloro-2-methoxyphenyl)-4-fluoro-1H-benzimidazole has a molecular weight of 276.70 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methoxyphenyl)-4-fluoro-1H-benzimidazole is sourced from PubChem (CID 64723337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).