1-[(2-chloro-3-fluorophenyl)methyl]-2-methylbenzimidazole

C15H12ClFN2 — CID 112654456

IUPAC1-[(2-chloro-3-fluorophenyl)methyl]-2-methylbenzimidazole
SMILESCc1nc2ccccc2n1Cc1cccc(F)c1Cl
InChIInChI=1S/C15H12ClFN2/c1-10-18-13-7-2-3-8-14(13)19(10)9-11-5-4-6-12(17)15(11)16/h2-8H,9H2,1H3
InChIKeyMJKHWLGSOBIPSF-UHFFFAOYSA-N
MW274.73 g/mol
LogP4.19
Rot. Bonds2

About 1-[(2-chloro-3-fluorophenyl)methyl]-2-methylbenzimidazole

1-[(2-chloro-3-fluorophenyl)methyl]-2-methylbenzimidazole (PubChem CID 112654456) has the molecular formula C15H12ClFN2 and a molecular weight of 274.73 g/mol. Its IUPAC name is 1-[(2-chloro-3-fluorophenyl)methyl]-2-methylbenzimidazole.

Molecular Properties

Compound Name1-[(2-chloro-3-fluorophenyl)methyl]-2-methylbenzimidazole
PubChem CID112654456
Molecular FormulaC15H12ClFN2
Molecular Weight274.73 g/mol
Exact Mass274.07
IUPAC Name1-[(2-chloro-3-fluorophenyl)methyl]-2-methylbenzimidazole
SMILESCc1nc2ccccc2n1Cc1cccc(F)c1Cl
InChIInChI=1S/C15H12ClFN2/c1-10-18-13-7-2-3-8-14(13)19(10)9-11-5-4-6-12(17)15(11)16/h2-8H,9H2,1H3
InChIKeyMJKHWLGSOBIPSF-UHFFFAOYSA-N
XLogP4.19
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.73
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-[[2-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole
CID 154733183
1-[(2-chlorophenyl)methyl]-2-methylbenzimidazole
CID 709571
1-[(2-chloro-3-pyridinyl)methyl]-2-methylbenzimidazole
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2-fluoro-3-[(2-methylbenzimidazol-1-yl)methyl]benzoic acid
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1-[(2-methoxyphenyl)methyl]-2-methylbenzimidazole
CID 940002
1-[(2-fluoro-4-methoxyphenyl)methyl]-2-methylbenzimidazole
CID 102879181
1-[(2-fluorophenyl)methyl]-2-methylsulfanylbenzimidazole
CID 690627
1-[(5-chloro-2-nitrophenyl)methyl]-2-methylbenzimidazole
CID 79751951
1-[(2-fluorophenyl)methyl]benzimidazol-2-amine
CID 886688
1-[1-[(2-chloro-3-fluorophenyl)methyl]indol-2-yl]-N-methylmethanamine
CID 115984349
1-[(2-chloro-6-fluorophenyl)methyl]-2-(2-fluorophenyl)benzimidazole
CID 19243364
(1R)-1-[1-[(2-chloro-3-fluorophenyl)methyl]-2-methylimidazol-4-yl]ethanamine
CID 114265955

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-3-fluorophenyl)methyl]-2-methylbenzimidazole?
The IUPAC name of 1-[(2-chloro-3-fluorophenyl)methyl]-2-methylbenzimidazole (CID 112654456) is 1-[(2-chloro-3-fluorophenyl)methyl]-2-methylbenzimidazole.
What is the SMILES notation for 1-[(2-chloro-3-fluorophenyl)methyl]-2-methylbenzimidazole?
The canonical SMILES for 1-[(2-chloro-3-fluorophenyl)methyl]-2-methylbenzimidazole is Cc1nc2ccccc2n1Cc1cccc(F)c1Cl.
What is the InChIKey of 1-[(2-chloro-3-fluorophenyl)methyl]-2-methylbenzimidazole?
The InChIKey is MJKHWLGSOBIPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2/c1-10-18-13-7-2-3-8-14(13)19(10)9-11-5-4-6-12(17)15(11)16/h2-8H,9H2,1H3.
What are the key properties of 1-[(2-chloro-3-fluorophenyl)methyl]-2-methylbenzimidazole?
1-[(2-chloro-3-fluorophenyl)methyl]-2-methylbenzimidazole has a molecular weight of 274.73 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-3-fluorophenyl)methyl]-2-methylbenzimidazole is sourced from PubChem (CID 112654456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).