1-(2-chloro-5-methylphenyl)-6-fluorobenzimidazol-2-amine

C14H11ClFN3 — CID 107637274

IUPAC1-(2-chloro-5-methylphenyl)-6-fluorobenzimidazol-2-amine
SMILESCc1ccc(Cl)c(-n2c(N)nc3ccc(F)cc32)c1
InChIInChI=1S/C14H11ClFN3/c1-8-2-4-10(15)12(6-8)19-13-7-9(16)3-5-11(13)18-14(19)17/h2-7H,1H3,(H2,17,18)
InChIKeyURNCEEFHSOYBHU-UHFFFAOYSA-N
MW275.71 g/mol
LogP3.71
Rot. Bonds1

About 1-(2-chloro-5-methylphenyl)-6-fluorobenzimidazol-2-amine

1-(2-chloro-5-methylphenyl)-6-fluorobenzimidazol-2-amine (PubChem CID 107637274) has the molecular formula C14H11ClFN3 and a molecular weight of 275.71 g/mol. Its IUPAC name is 1-(2-chloro-5-methylphenyl)-6-fluorobenzimidazol-2-amine.

Molecular Properties

Compound Name1-(2-chloro-5-methylphenyl)-6-fluorobenzimidazol-2-amine
PubChem CID107637274
Molecular FormulaC14H11ClFN3
Molecular Weight275.71 g/mol
Exact Mass275.06
IUPAC Name1-(2-chloro-5-methylphenyl)-6-fluorobenzimidazol-2-amine
SMILESCc1ccc(Cl)c(-n2c(N)nc3ccc(F)cc32)c1
InChIInChI=1S/C14H11ClFN3/c1-8-2-4-10(15)12(6-8)19-13-7-9(16)3-5-11(13)18-14(19)17/h2-7H,1H3,(H2,17,18)
InChIKeyURNCEEFHSOYBHU-UHFFFAOYSA-N
XLogP3.71
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-1-(3-fluoro-5-methylphenyl)benzimidazol-2-amine
CID 79049822
1-(2-bromo-5-methylphenyl)-5,6-dichlorobenzimidazol-2-amine
CID 82766702
2-(chloromethyl)-1-(2-chloro-5-methylphenyl)-5-fluorobenzimidazole
CID 107637855
1-(2-bromo-5-methylphenyl)-5-fluorobenzimidazol-2-amine
CID 82766861
1-(2-chloro-5-methylphenyl)-4-methoxybenzimidazol-2-amine
CID 107637295
1-(2-chloro-4-fluorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103592726
5-chloro-1-(2-chloro-4-fluorophenyl)-6-fluorobenzimidazol-2-amine
CID 66078502
2-(2-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-fluorobenzimidazole
CID 107637764
2-(1-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-fluorobenzimidazole
CID 107637877
5,6-dichloro-2-(chloromethyl)-1-(2-chloro-5-methylphenyl)benzimidazole
CID 107637779
1-(2,5-dimethylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103592661
2-(2-amino-6-fluorobenzimidazol-1-yl)-5-fluorobenzonitrile
CID 82016569

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-methylphenyl)-6-fluorobenzimidazol-2-amine?
The IUPAC name of 1-(2-chloro-5-methylphenyl)-6-fluorobenzimidazol-2-amine (CID 107637274) is 1-(2-chloro-5-methylphenyl)-6-fluorobenzimidazol-2-amine.
What is the SMILES notation for 1-(2-chloro-5-methylphenyl)-6-fluorobenzimidazol-2-amine?
The canonical SMILES for 1-(2-chloro-5-methylphenyl)-6-fluorobenzimidazol-2-amine is Cc1ccc(Cl)c(-n2c(N)nc3ccc(F)cc32)c1.
What is the InChIKey of 1-(2-chloro-5-methylphenyl)-6-fluorobenzimidazol-2-amine?
The InChIKey is URNCEEFHSOYBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3/c1-8-2-4-10(15)12(6-8)19-13-7-9(16)3-5-11(13)18-14(19)17/h2-7H,1H3,(H2,17,18).
What are the key properties of 1-(2-chloro-5-methylphenyl)-6-fluorobenzimidazol-2-amine?
1-(2-chloro-5-methylphenyl)-6-fluorobenzimidazol-2-amine has a molecular weight of 275.71 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-methylphenyl)-6-fluorobenzimidazol-2-amine is sourced from PubChem (CID 107637274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).