1-(4-fluoro-2-methoxyphenyl)-7-methylbenzimidazol-2-amine

C15H14FN3O — CID 115552389

IUPAC1-(4-fluoro-2-methoxyphenyl)-7-methylbenzimidazol-2-amine
SMILESCOc1cc(F)ccc1-n1c(N)nc2cccc(C)c21
InChIInChI=1S/C15H14FN3O/c1-9-4-3-5-11-14(9)19(15(17)18-11)12-7-6-10(16)8-13(12)20-2/h3-8H,1-2H3,(H2,17,18)
InChIKeyPQIVZXLLBZHWBB-UHFFFAOYSA-N
MW271.30 g/mol
LogP3.06
Rot. Bonds2

About 1-(4-fluoro-2-methoxyphenyl)-7-methylbenzimidazol-2-amine

1-(4-fluoro-2-methoxyphenyl)-7-methylbenzimidazol-2-amine (PubChem CID 115552389) has the molecular formula C15H14FN3O and a molecular weight of 271.30 g/mol. Its IUPAC name is 1-(4-fluoro-2-methoxyphenyl)-7-methylbenzimidazol-2-amine.

Molecular Properties

Compound Name1-(4-fluoro-2-methoxyphenyl)-7-methylbenzimidazol-2-amine
PubChem CID115552389
Molecular FormulaC15H14FN3O
Molecular Weight271.30 g/mol
Exact Mass271.11
IUPAC Name1-(4-fluoro-2-methoxyphenyl)-7-methylbenzimidazol-2-amine
SMILESCOc1cc(F)ccc1-n1c(N)nc2cccc(C)c21
InChIInChI=1S/C15H14FN3O/c1-9-4-3-5-11-14(9)19(15(17)18-11)12-7-6-10(16)8-13(12)20-2/h3-8H,1-2H3,(H2,17,18)
InChIKeyPQIVZXLLBZHWBB-UHFFFAOYSA-N
XLogP3.06
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-fluoro-2-methoxyphenyl)-7-methylbenzimidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,5-difluorophenyl)-7-methylbenzimidazol-2-amine
CID 115552264
1-(4-chloro-2-fluorophenyl)-7-methylbenzimidazol-2-amine
CID 115552345
1-(4-bromo-2-fluorophenyl)-7-methylbenzimidazol-2-amine
CID 115552268
3-(4-fluoro-2-methoxyphenyl)-4-methyl-1H-benzimidazole-2-thione
CID 115551805
2-amino-3-(4-fluoro-2-methoxyphenyl)benzimidazole-5-carbonitrile
CID 104714937
1-(3-methoxyphenyl)-7-methylbenzimidazol-2-amine
CID 115552236
7-methyl-1-(2,4,5-trichlorophenyl)benzimidazol-2-amine
CID 115552270
1-(2-bromo-4-chlorophenyl)-7-methylbenzimidazol-2-amine
CID 115552616
7-methyl-1-[2-(trifluoromethyl)phenyl]benzimidazol-2-amine
CID 115552254
5-fluoro-1-(4-fluoro-2-iodophenyl)-6-methoxybenzimidazol-2-amine
CID 79761482
1-(3-bromo-4-methylphenyl)-7-methylbenzimidazol-2-amine
CID 115552506
1-(3,4-dimethoxyphenyl)-5-fluorobenzimidazol-2-amine
CID 43661963

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methoxyphenyl)-7-methylbenzimidazol-2-amine?
The IUPAC name of 1-(4-fluoro-2-methoxyphenyl)-7-methylbenzimidazol-2-amine (CID 115552389) is 1-(4-fluoro-2-methoxyphenyl)-7-methylbenzimidazol-2-amine.
What is the SMILES notation for 1-(4-fluoro-2-methoxyphenyl)-7-methylbenzimidazol-2-amine?
The canonical SMILES for 1-(4-fluoro-2-methoxyphenyl)-7-methylbenzimidazol-2-amine is COc1cc(F)ccc1-n1c(N)nc2cccc(C)c21.
What is the InChIKey of 1-(4-fluoro-2-methoxyphenyl)-7-methylbenzimidazol-2-amine?
The InChIKey is PQIVZXLLBZHWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O/c1-9-4-3-5-11-14(9)19(15(17)18-11)12-7-6-10(16)8-13(12)20-2/h3-8H,1-2H3,(H2,17,18).
What are the key properties of 1-(4-fluoro-2-methoxyphenyl)-7-methylbenzimidazol-2-amine?
1-(4-fluoro-2-methoxyphenyl)-7-methylbenzimidazol-2-amine has a molecular weight of 271.30 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methoxyphenyl)-7-methylbenzimidazol-2-amine is sourced from PubChem (CID 115552389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).