1-(2-chloro-4,6-difluorophenyl)-5-methylbenzimidazol-2-amine

C14H10ClF2N3 — CID 83087950

IUPAC1-(2-chloro-4,6-difluorophenyl)-5-methylbenzimidazol-2-amine
SMILESCc1ccc2c(c1)nc(N)n2-c1c(F)cc(F)cc1Cl
InChIInChI=1S/C14H10ClF2N3/c1-7-2-3-12-11(4-7)19-14(18)20(12)13-9(15)5-8(16)6-10(13)17/h2-6H,1H3,(H2,18,19)
InChIKeyWCTXVIYFVYDDRL-UHFFFAOYSA-N
MW293.70 g/mol
LogP3.85
Rot. Bonds1

About 1-(2-chloro-4,6-difluorophenyl)-5-methylbenzimidazol-2-amine

1-(2-chloro-4,6-difluorophenyl)-5-methylbenzimidazol-2-amine (PubChem CID 83087950) has the molecular formula C14H10ClF2N3 and a molecular weight of 293.70 g/mol. Its IUPAC name is 1-(2-chloro-4,6-difluorophenyl)-5-methylbenzimidazol-2-amine.

Molecular Properties

Compound Name1-(2-chloro-4,6-difluorophenyl)-5-methylbenzimidazol-2-amine
PubChem CID83087950
Molecular FormulaC14H10ClF2N3
Molecular Weight293.70 g/mol
Exact Mass293.05
IUPAC Name1-(2-chloro-4,6-difluorophenyl)-5-methylbenzimidazol-2-amine
SMILESCc1ccc2c(c1)nc(N)n2-c1c(F)cc(F)cc1Cl
InChIInChI=1S/C14H10ClF2N3/c1-7-2-3-12-11(4-7)19-14(18)20(12)13-9(15)5-8(16)6-10(13)17/h2-6H,1H3,(H2,18,19)
InChIKeyWCTXVIYFVYDDRL-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

1-(4-chloro-2-fluorophenyl)-5-methylbenzimidazol-2-amine
CID 61472339
1-(2,4-dichlorophenyl)-5-methylbenzimidazol-2-amine
CID 43661916
5-chloro-1-(2-fluoro-4-methylphenyl)benzimidazol-2-amine
CID 43659478
5-chloro-6-fluoro-1-(4-methylphenyl)benzimidazol-2-amine
CID 66077135
1-(2-fluoro-5-methylphenyl)-5-iodobenzimidazol-2-amine
CID 66081783
1-(2,6-dichloro-4-fluorophenyl)-2-ethylbenzimidazol-5-amine
CID 83072700
1-(2-bromo-5-methylphenyl)-5-fluorobenzimidazol-2-amine
CID 82766861
1-(2-bromo-5-methylphenyl)-5-chlorobenzimidazol-2-amine
CID 82766158
1-(2-chloro-5-methylphenyl)-6-fluorobenzimidazol-2-amine
CID 107637274
1-(2-chloro-6-fluorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103593159
5-chloro-1-(3,5-dimethylphenyl)benzimidazol-2-amine
CID 43659458
5-methyl-1-(2-methylphenyl)benzimidazol-2-amine
CID 43661880

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,6-difluorophenyl)-5-methylbenzimidazol-2-amine?
The IUPAC name of 1-(2-chloro-4,6-difluorophenyl)-5-methylbenzimidazol-2-amine (CID 83087950) is 1-(2-chloro-4,6-difluorophenyl)-5-methylbenzimidazol-2-amine.
What is the SMILES notation for 1-(2-chloro-4,6-difluorophenyl)-5-methylbenzimidazol-2-amine?
The canonical SMILES for 1-(2-chloro-4,6-difluorophenyl)-5-methylbenzimidazol-2-amine is Cc1ccc2c(c1)nc(N)n2-c1c(F)cc(F)cc1Cl.
What is the InChIKey of 1-(2-chloro-4,6-difluorophenyl)-5-methylbenzimidazol-2-amine?
The InChIKey is WCTXVIYFVYDDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF2N3/c1-7-2-3-12-11(4-7)19-14(18)20(12)13-9(15)5-8(16)6-10(13)17/h2-6H,1H3,(H2,18,19).
What are the key properties of 1-(2-chloro-4,6-difluorophenyl)-5-methylbenzimidazol-2-amine?
1-(2-chloro-4,6-difluorophenyl)-5-methylbenzimidazol-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 1-(2-chloro-4,6-difluorophenyl)-5-methylbenzimidazol-2-amine is sourced from PubChem (CID 83087950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).