1-(2-chloro-4-fluorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine

C14H10ClF2N3 — CID 103592726

IUPAC1-(2-chloro-4-fluorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine
SMILESCc1cc2c(cc1F)nc(N)n2-c1ccc(F)cc1Cl
InChIInChI=1S/C14H10ClF2N3/c1-7-4-13-11(6-10(7)17)19-14(18)20(13)12-3-2-8(16)5-9(12)15/h2-6H,1H3,(H2,18,19)
InChIKeyPDQVKTRJHGYDHY-UHFFFAOYSA-N
MW293.70 g/mol
LogP3.85
Rot. Bonds1

About 1-(2-chloro-4-fluorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine

1-(2-chloro-4-fluorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine (PubChem CID 103592726) has the molecular formula C14H10ClF2N3 and a molecular weight of 293.70 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine
PubChem CID103592726
Molecular FormulaC14H10ClF2N3
Molecular Weight293.70 g/mol
Exact Mass293.05
IUPAC Name1-(2-chloro-4-fluorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine
SMILESCc1cc2c(cc1F)nc(N)n2-c1ccc(F)cc1Cl
InChIInChI=1S/C14H10ClF2N3/c1-7-4-13-11(6-10(7)17)19-14(18)20(13)12-3-2-8(16)5-9(12)15/h2-6H,1H3,(H2,18,19)
InChIKeyPDQVKTRJHGYDHY-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-(2,4-dichlorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103592709
5-chloro-1-(2-chloro-4-fluorophenyl)-6-fluorobenzimidazol-2-amine
CID 66078502
1-(2,5-difluorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103592718
4-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)-3-chlorobenzonitrile
CID 107809092
1-(2-chloro-4-iodophenyl)-5-fluorobenzimidazol-2-amine
CID 107607210
1-(2-chloro-6-fluorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103593159
1-(2,5-dimethylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103592661
5-fluoro-1-(3-fluorophenyl)-6-methylbenzimidazol-2-amine
CID 103592659
1-(2-bromo-4-fluorophenyl)-5-chloro-6-fluorobenzimidazol-2-amine
CID 66077914
1-(3,5-difluorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103592691
1-(4-chloro-2-iodophenyl)-5-fluorobenzimidazol-2-amine
CID 107637336
1-(2-chloro-5-methylphenyl)-6-fluorobenzimidazol-2-amine
CID 107637274

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine (CID 103592726) is 1-(2-chloro-4-fluorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine is Cc1cc2c(cc1F)nc(N)n2-c1ccc(F)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine?
The InChIKey is PDQVKTRJHGYDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF2N3/c1-7-4-13-11(6-10(7)17)19-14(18)20(13)12-3-2-8(16)5-9(12)15/h2-6H,1H3,(H2,18,19).
What are the key properties of 1-(2-chloro-4-fluorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine?
1-(2-chloro-4-fluorophenyl)-5-fluoro-6-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-fluorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine is sourced from PubChem (CID 103592726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).