6-chloro-1-(2,6-difluoro-3-methylphenyl)benzimidazol-2-amine

C14H10ClF2N3 — CID 82820117

IUPAC6-chloro-1-(2,6-difluoro-3-methylphenyl)benzimidazol-2-amine
SMILESCc1ccc(F)c(-n2c(N)nc3ccc(Cl)cc32)c1F
InChIInChI=1S/C14H10ClF2N3/c1-7-2-4-9(16)13(12(7)17)20-11-6-8(15)3-5-10(11)19-14(20)18/h2-6H,1H3,(H2,18,19)
InChIKeyJJAJLCYMKPETMO-UHFFFAOYSA-N
MW293.70 g/mol
LogP3.85
Rot. Bonds1

About 6-chloro-1-(2,6-difluoro-3-methylphenyl)benzimidazol-2-amine

6-chloro-1-(2,6-difluoro-3-methylphenyl)benzimidazol-2-amine (PubChem CID 82820117) has the molecular formula C14H10ClF2N3 and a molecular weight of 293.70 g/mol. Its IUPAC name is 6-chloro-1-(2,6-difluoro-3-methylphenyl)benzimidazol-2-amine.

Molecular Properties

Compound Name6-chloro-1-(2,6-difluoro-3-methylphenyl)benzimidazol-2-amine
PubChem CID82820117
Molecular FormulaC14H10ClF2N3
Molecular Weight293.70 g/mol
Exact Mass293.05
IUPAC Name6-chloro-1-(2,6-difluoro-3-methylphenyl)benzimidazol-2-amine
SMILESCc1ccc(F)c(-n2c(N)nc3ccc(Cl)cc32)c1F
InChIInChI=1S/C14H10ClF2N3/c1-7-2-4-9(16)13(12(7)17)20-11-6-8(15)3-5-10(11)19-14(20)18/h2-6H,1H3,(H2,18,19)
InChIKeyJJAJLCYMKPETMO-UHFFFAOYSA-N
XLogP3.85
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.70
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-1-(2-methylphenyl)benzimidazol-2-amine
CID 115470391
6-chloro-1-(2,3,5-trifluorophenyl)benzimidazol-2-amine
CID 115470604
1-(3-bromo-4-fluorophenyl)-6-chlorobenzimidazol-2-amine
CID 104779956
4-chloro-1-(2,6-difluoro-3-methylphenyl)benzimidazol-2-amine
CID 104837243
6-chloro-1-(3-methoxyphenyl)benzimidazol-2-amine
CID 115470387
1-(2,4-dichlorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103592709
1-(2-chloro-6-fluorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103593159
5-chloro-1-(3-chloro-4-methylphenyl)benzimidazol-2-amine
CID 43659506
1-(3-bromophenyl)-6-chlorobenzimidazol-2-amine
CID 113316148
6-chloro-2-(2-chloroethyl)-1-(3-fluoro-4-methylphenyl)benzimidazole
CID 115470935
6-chloro-1-(4-propylphenyl)benzimidazol-2-amine
CID 115470439
6-bromo-1-(3-chloro-4-fluorophenyl)benzimidazol-2-amine
CID 65347263

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(2,6-difluoro-3-methylphenyl)benzimidazol-2-amine?
The IUPAC name of 6-chloro-1-(2,6-difluoro-3-methylphenyl)benzimidazol-2-amine (CID 82820117) is 6-chloro-1-(2,6-difluoro-3-methylphenyl)benzimidazol-2-amine.
What is the SMILES notation for 6-chloro-1-(2,6-difluoro-3-methylphenyl)benzimidazol-2-amine?
The canonical SMILES for 6-chloro-1-(2,6-difluoro-3-methylphenyl)benzimidazol-2-amine is Cc1ccc(F)c(-n2c(N)nc3ccc(Cl)cc32)c1F.
What is the InChIKey of 6-chloro-1-(2,6-difluoro-3-methylphenyl)benzimidazol-2-amine?
The InChIKey is JJAJLCYMKPETMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF2N3/c1-7-2-4-9(16)13(12(7)17)20-11-6-8(15)3-5-10(11)19-14(20)18/h2-6H,1H3,(H2,18,19).
What are the key properties of 6-chloro-1-(2,6-difluoro-3-methylphenyl)benzimidazol-2-amine?
6-chloro-1-(2,6-difluoro-3-methylphenyl)benzimidazol-2-amine has a molecular weight of 293.70 g/mol, XLogP of 3.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(2,6-difluoro-3-methylphenyl)benzimidazol-2-amine is sourced from PubChem (CID 82820117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).