5-chloro-2-(3-fluorophenyl)-1-methylbenzimidazole

C14H10ClFN2 — CID 47272714

IUPAC5-chloro-2-(3-fluorophenyl)-1-methylbenzimidazole
SMILESCn1c(-c2cccc(F)c2)nc2cc(Cl)ccc21
InChIInChI=1S/C14H10ClFN2/c1-18-13-6-5-10(15)8-12(13)17-14(18)9-3-2-4-11(16)7-9/h2-8H,1H3
InChIKeyPIPNEHRLAJKOAI-UHFFFAOYSA-N
MW260.70 g/mol
LogP4.03
Rot. Bonds1

About 5-chloro-2-(3-fluorophenyl)-1-methylbenzimidazole

5-chloro-2-(3-fluorophenyl)-1-methylbenzimidazole (PubChem CID 47272714) has the molecular formula C14H10ClFN2 and a molecular weight of 260.70 g/mol. Its IUPAC name is 5-chloro-2-(3-fluorophenyl)-1-methylbenzimidazole.

Molecular Properties

Compound Name5-chloro-2-(3-fluorophenyl)-1-methylbenzimidazole
PubChem CID47272714
Molecular FormulaC14H10ClFN2
Molecular Weight260.70 g/mol
Exact Mass260.05
IUPAC Name5-chloro-2-(3-fluorophenyl)-1-methylbenzimidazole
SMILESCn1c(-c2cccc(F)c2)nc2cc(Cl)ccc21
InChIInChI=1S/C14H10ClFN2/c1-18-13-6-5-10(15)8-12(13)17-14(18)9-3-2-4-11(16)7-9/h2-8H,1H3
InChIKeyPIPNEHRLAJKOAI-UHFFFAOYSA-N
XLogP4.03
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.70
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenyl)-1-methylbenzimidazole-5-carbonitrile
CID 65034830
6-(3-chlorophenyl)-2-(3-fluorophenyl)-1-methylimidazo[4,5-c]pyridine
CID 155561809
5-chloro-1-methyl-2-pyridin-3-ylbenzimidazole
CID 10966745
6-chloro-1-methyl-2-phenylbenzimidazole
CID 12738431
2-(3-chloro-4-fluorophenyl)-1-methylbenzimidazole-5-carbonitrile
CID 82879135
5-chloro-2-(5-chloro-1-methylbenzimidazol-2-yl)aniline
CID 60785031
2-[5,6-dichloro-2-(3-fluorophenyl)benzimidazol-1-yl]ethanol
CID 82149458
3-chloro-N-(4-chlorophenyl)-5-(5-fluoro-1-methylbenzimidazol-2-yl)pyridin-2-amine
CID 68721205
2-(4-chlorophenyl)-1-methylbenzimidazole
CID 974595
2-amino-4-(5-fluoro-1-methylbenzimidazol-2-yl)phenol
CID 136872083
[2-(3,4-difluorophenyl)-1-methylbenzimidazol-5-yl]methanamine
CID 65038170
2-(3-fluoro-4-methylphenyl)-1-methylbenzimidazole-5-carbonitrile
CID 65035579

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3-fluorophenyl)-1-methylbenzimidazole?
The IUPAC name of 5-chloro-2-(3-fluorophenyl)-1-methylbenzimidazole (CID 47272714) is 5-chloro-2-(3-fluorophenyl)-1-methylbenzimidazole.
What is the SMILES notation for 5-chloro-2-(3-fluorophenyl)-1-methylbenzimidazole?
The canonical SMILES for 5-chloro-2-(3-fluorophenyl)-1-methylbenzimidazole is Cn1c(-c2cccc(F)c2)nc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-2-(3-fluorophenyl)-1-methylbenzimidazole?
The InChIKey is PIPNEHRLAJKOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2/c1-18-13-6-5-10(15)8-12(13)17-14(18)9-3-2-4-11(16)7-9/h2-8H,1H3.
What are the key properties of 5-chloro-2-(3-fluorophenyl)-1-methylbenzimidazole?
5-chloro-2-(3-fluorophenyl)-1-methylbenzimidazole has a molecular weight of 260.70 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3-fluorophenyl)-1-methylbenzimidazole is sourced from PubChem (CID 47272714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).