1-(2,4-dichlorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine

C14H10Cl2FN3 — CID 103592709

IUPAC1-(2,4-dichlorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine
SMILESCc1cc2c(cc1F)nc(N)n2-c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H10Cl2FN3/c1-7-4-13-11(6-10(7)17)19-14(18)20(13)12-3-2-8(15)5-9(12)16/h2-6H,1H3,(H2,18,19)
InChIKeySTHFRRWUKPXMCF-UHFFFAOYSA-N
MW310.16 g/mol
LogP4.36
Rot. Bonds1

About 1-(2,4-dichlorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine

1-(2,4-dichlorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine (PubChem CID 103592709) has the molecular formula C14H10Cl2FN3 and a molecular weight of 310.16 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine
PubChem CID103592709
Molecular FormulaC14H10Cl2FN3
Molecular Weight310.16 g/mol
Exact Mass309.02
IUPAC Name1-(2,4-dichlorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine
SMILESCc1cc2c(cc1F)nc(N)n2-c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H10Cl2FN3/c1-7-4-13-11(6-10(7)17)19-14(18)20(13)12-3-2-8(15)5-9(12)16/h2-6H,1H3,(H2,18,19)
InChIKeySTHFRRWUKPXMCF-UHFFFAOYSA-N
XLogP4.36
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.16
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-4-fluorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103592726
4-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)-3-chlorobenzonitrile
CID 107809092
1-(2,5-difluorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103592718
1-(2,4-dichlorophenyl)-5-methylbenzimidazol-2-amine
CID 43661916
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-chloro-1-(2-chloro-4-fluorophenyl)-6-fluorobenzimidazol-2-amine
CID 66078502
5-chloro-1-(2-fluoro-4-methylphenyl)benzimidazol-2-amine
CID 43659478
1-(4-chloro-2-fluorophenyl)-5-methylbenzimidazol-2-amine
CID 61472339
1-(5-chloro-2-methylphenyl)-5-iodobenzimidazol-2-amine
CID 66081186
1-(2,5-dichlorophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 63598050
1-(3,5-dimethylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103592692

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine?
The IUPAC name of 1-(2,4-dichlorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine (CID 103592709) is 1-(2,4-dichlorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine is Cc1cc2c(cc1F)nc(N)n2-c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine?
The InChIKey is STHFRRWUKPXMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2FN3/c1-7-4-13-11(6-10(7)17)19-14(18)20(13)12-3-2-8(15)5-9(12)16/h2-6H,1H3,(H2,18,19).
What are the key properties of 1-(2,4-dichlorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine?
1-(2,4-dichlorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine has a molecular weight of 310.16 g/mol, XLogP of 4.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine is sourced from PubChem (CID 103592709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).