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

C14H10ClFN2O — CID 102883692

IUPAC6-chloro-2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole
SMILESCOc1ccc(-c2nc3ccc(Cl)cc3[nH]2)c(F)c1
InChIInChI=1S/C14H10ClFN2O/c1-19-9-3-4-10(11(16)7-9)14-17-12-5-2-8(15)6-13(12)18-14/h2-7H,1H3,(H,17,18)
InChIKeyCJFHEVWSPLMWNZ-UHFFFAOYSA-N
MW276.70 g/mol
LogP4.03
Rot. Bonds2

About 6-chloro-2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole

6-chloro-2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole (PubChem CID 102883692) has the molecular formula C14H10ClFN2O and a molecular weight of 276.70 g/mol. Its IUPAC name is 6-chloro-2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-chloro-2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole
PubChem CID102883692
Molecular FormulaC14H10ClFN2O
Molecular Weight276.70 g/mol
Exact Mass276.05
IUPAC Name6-chloro-2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole
SMILESCOc1ccc(-c2nc3ccc(Cl)cc3[nH]2)c(F)c1
InChIInChI=1S/C14H10ClFN2O/c1-19-9-3-4-10(11(16)7-9)14-17-12-5-2-8(15)6-13(12)18-14/h2-7H,1H3,(H,17,18)
InChIKeyCJFHEVWSPLMWNZ-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-methoxyphenyl)-1H-1,3-benzodiazole
CID 345686
2-[(4-chlorophenoxy)methyl]-1H-1,3-benzodiazole
CID 393988
2-(2-methoxyphenyl)-1H-benzimidazole
CID 759420
2-[(4-methylphenoxy)methyl]-1H-benzimidazole
CID 699923
2-[(3,4-dimethoxyphenyl)methyl]-1H-1,3-benzodiazole
CID 393989
2-[(4-phenoxyphenyl)methyl]-1H-benzimidazole
CID 9817808
5-chloro-2-{4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl}-1H-1,3-benzodiazole
CID 11451949
Benzyl-[2-(6-chloro-2-trifluoromethyl-1H-benzoimidazol-4-yloxy)-ethyl]-amine
CID 9820680
5-methoxy-2-phenyl-1H-benzimidazole
CID 745079
2-Propen-1-one, 1-(1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)-
CID 5469980
2-(3-methoxyphenyl)-1H-1,3-benzodiazole
CID 794634
2-(4-(4-Carbamimidoylphenoxy)phenyl)-1H-benzo[D]imidazole-6-carboximidamide
CID 456167

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole?
The IUPAC name of 6-chloro-2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole (CID 102883692) is 6-chloro-2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole.
What is the SMILES notation for 6-chloro-2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole?
The canonical SMILES for 6-chloro-2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole is COc1ccc(-c2nc3ccc(Cl)cc3[nH]2)c(F)c1.
What is the InChIKey of 6-chloro-2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole?
The InChIKey is CJFHEVWSPLMWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O/c1-19-9-3-4-10(11(16)7-9)14-17-12-5-2-8(15)6-13(12)18-14/h2-7H,1H3,(H,17,18).
What are the key properties of 6-chloro-2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole?
6-chloro-2-(2-fluoro-4-methoxyphenyl)-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 6-chloro-2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole is sourced from PubChem (CID 102883692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).