2-(5-chloro-2-methylphenyl)-5,6-difluoro-1H-benzimidazole

C14H9ClF2N2 — CID 82883776

IUPAC2-(5-chloro-2-methylphenyl)-5,6-difluoro-1H-benzimidazole
SMILESCc1ccc(Cl)cc1-c1nc2cc(F)c(F)cc2[nH]1
InChIInChI=1S/C14H9ClF2N2/c1-7-2-3-8(15)4-9(7)14-18-12-5-10(16)11(17)6-13(12)19-14/h2-6H,1H3,(H,18,19)
InChIKeyNDJOVAIBVXLRMF-UHFFFAOYSA-N
MW278.69 g/mol
LogP4.47
Rot. Bonds1

About 2-(5-chloro-2-methylphenyl)-5,6-difluoro-1H-benzimidazole

2-(5-chloro-2-methylphenyl)-5,6-difluoro-1H-benzimidazole (PubChem CID 82883776) has the molecular formula C14H9ClF2N2 and a molecular weight of 278.69 g/mol. Its IUPAC name is 2-(5-chloro-2-methylphenyl)-5,6-difluoro-1H-benzimidazole.

Molecular Properties

Compound Name2-(5-chloro-2-methylphenyl)-5,6-difluoro-1H-benzimidazole
PubChem CID82883776
Molecular FormulaC14H9ClF2N2
Molecular Weight278.69 g/mol
Exact Mass278.04
IUPAC Name2-(5-chloro-2-methylphenyl)-5,6-difluoro-1H-benzimidazole
SMILESCc1ccc(Cl)cc1-c1nc2cc(F)c(F)cc2[nH]1
InChIInChI=1S/C14H9ClF2N2/c1-7-2-3-8(15)4-9(7)14-18-12-5-10(16)11(17)6-13(12)19-14/h2-6H,1H3,(H,18,19)
InChIKeyNDJOVAIBVXLRMF-UHFFFAOYSA-N
XLogP4.47
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.69
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,5-dichlorophenyl)-5,6-dimethyl-1H-benzimidazole
CID 55185574
5-bromo-2-(5-chloro-2-fluorophenyl)-6-fluoro-1H-benzimidazole
CID 79631329
4-chloro-2-(5-chloro-6-methyl-1H-benzimidazol-2-yl)aniline
CID 95909583
2-(4-chloro-2,5-difluorophenyl)-5,6-difluoro-1H-benzimidazole
CID 82772918
5,6-dichloro-2-(2-fluoro-5-methylphenyl)-1H-benzimidazole
CID 82003782
3-(5,6-difluoro-1H-benzimidazol-2-yl)-4-fluoroaniline
CID 60835368
2-chloro-6-(5,6-difluoro-1H-benzimidazol-2-yl)aniline
CID 107049774
2-(5,6-difluoro-1H-benzimidazol-2-yl)-4-methylaniline
CID 43470869
2-(3-chloro-4-methylthiophen-2-yl)-5,6-difluoro-1H-benzimidazole
CID 103402837
5,6-dichloro-2-(5-chloro-2-methoxyphenyl)-1H-benzimidazole
CID 82004397
5,6-dichloro-2-(3-fluoro-4-methylphenyl)-1H-benzimidazole
CID 82004686
2-(1,3-dimethylpyrazol-4-yl)-5,6-difluoro-1H-benzimidazole
CID 113338114

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methylphenyl)-5,6-difluoro-1H-benzimidazole?
The IUPAC name of 2-(5-chloro-2-methylphenyl)-5,6-difluoro-1H-benzimidazole (CID 82883776) is 2-(5-chloro-2-methylphenyl)-5,6-difluoro-1H-benzimidazole.
What is the SMILES notation for 2-(5-chloro-2-methylphenyl)-5,6-difluoro-1H-benzimidazole?
The canonical SMILES for 2-(5-chloro-2-methylphenyl)-5,6-difluoro-1H-benzimidazole is Cc1ccc(Cl)cc1-c1nc2cc(F)c(F)cc2[nH]1.
What is the InChIKey of 2-(5-chloro-2-methylphenyl)-5,6-difluoro-1H-benzimidazole?
The InChIKey is NDJOVAIBVXLRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF2N2/c1-7-2-3-8(15)4-9(7)14-18-12-5-10(16)11(17)6-13(12)19-14/h2-6H,1H3,(H,18,19).
What are the key properties of 2-(5-chloro-2-methylphenyl)-5,6-difluoro-1H-benzimidazole?
2-(5-chloro-2-methylphenyl)-5,6-difluoro-1H-benzimidazole has a molecular weight of 278.69 g/mol, XLogP of 4.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methylphenyl)-5,6-difluoro-1H-benzimidazole is sourced from PubChem (CID 82883776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).