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

C14H10ClF2N3 — CID 104837243

IUPAC4-chloro-1-(2,6-difluoro-3-methylphenyl)benzimidazol-2-amine
SMILESCc1ccc(F)c(-n2c(N)nc3c(Cl)cccc32)c1F
InChIInChI=1S/C14H10ClF2N3/c1-7-5-6-9(16)13(11(7)17)20-10-4-2-3-8(15)12(10)19-14(20)18/h2-6H,1H3,(H2,18,19)
InChIKeyNHRWJTITHNJSMN-UHFFFAOYSA-N
MW293.70 g/mol
LogP3.85
Rot. Bonds1

About 4-chloro-1-(2,6-difluoro-3-methylphenyl)benzimidazol-2-amine

4-chloro-1-(2,6-difluoro-3-methylphenyl)benzimidazol-2-amine (PubChem CID 104837243) has the molecular formula C14H10ClF2N3 and a molecular weight of 293.70 g/mol. Its IUPAC name is 4-chloro-1-(2,6-difluoro-3-methylphenyl)benzimidazol-2-amine.

Molecular Properties

Compound Name4-chloro-1-(2,6-difluoro-3-methylphenyl)benzimidazol-2-amine
PubChem CID104837243
Molecular FormulaC14H10ClF2N3
Molecular Weight293.70 g/mol
Exact Mass293.05
IUPAC Name4-chloro-1-(2,6-difluoro-3-methylphenyl)benzimidazol-2-amine
SMILESCc1ccc(F)c(-n2c(N)nc3c(Cl)cccc32)c1F
InChIInChI=1S/C14H10ClF2N3/c1-7-5-6-9(16)13(11(7)17)20-10-4-2-3-8(15)12(10)19-14(20)18/h2-6H,1H3,(H2,18,19)
InChIKeyNHRWJTITHNJSMN-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

4-chloro-1-(2-chloro-6-methylphenyl)benzimidazol-2-amine
CID 104837184
6-chloro-1-(2,6-difluoro-3-methylphenyl)benzimidazol-2-amine
CID 82820117
4-chloro-1-(3-methylphenyl)benzimidazol-2-amine
CID 104836856
4-chloro-1-(3-fluorophenyl)benzimidazol-2-amine
CID 104836818
4-chloro-1-(2,4-dichlorophenyl)benzimidazol-2-amine
CID 104836871
4-chloro-1-(2,5-dichlorophenyl)benzimidazol-2-amine
CID 104836825
1-(2-chlorophenyl)-4-fluorobenzimidazol-2-amine
CID 60789713
3-(2,6-difluoro-3-methylphenyl)-7-methylimidazo[4,5-b]pyridin-2-amine
CID 82820195
1-(3,4-dichlorophenyl)-4-fluorobenzimidazol-2-amine
CID 60790457
1-(2-chloro-6-fluorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103593159
1-(4-bromophenyl)-4-chlorobenzimidazol-2-amine
CID 113459008
2-amino-1-(2-chloro-6-methylphenyl)benzimidazole-4-carbonitrile
CID 104719050

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2,6-difluoro-3-methylphenyl)benzimidazol-2-amine?
The IUPAC name of 4-chloro-1-(2,6-difluoro-3-methylphenyl)benzimidazol-2-amine (CID 104837243) is 4-chloro-1-(2,6-difluoro-3-methylphenyl)benzimidazol-2-amine.
What is the SMILES notation for 4-chloro-1-(2,6-difluoro-3-methylphenyl)benzimidazol-2-amine?
The canonical SMILES for 4-chloro-1-(2,6-difluoro-3-methylphenyl)benzimidazol-2-amine is Cc1ccc(F)c(-n2c(N)nc3c(Cl)cccc32)c1F.
What is the InChIKey of 4-chloro-1-(2,6-difluoro-3-methylphenyl)benzimidazol-2-amine?
The InChIKey is NHRWJTITHNJSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF2N3/c1-7-5-6-9(16)13(11(7)17)20-10-4-2-3-8(15)12(10)19-14(20)18/h2-6H,1H3,(H2,18,19).
What are the key properties of 4-chloro-1-(2,6-difluoro-3-methylphenyl)benzimidazol-2-amine?
4-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 4-chloro-1-(2,6-difluoro-3-methylphenyl)benzimidazol-2-amine is sourced from PubChem (CID 104837243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).