1-(4-fluoro-3-methoxyphenyl)-6-methylbenzimidazol-2-amine

C15H14FN3O — CID 114840209

IUPAC1-(4-fluoro-3-methoxyphenyl)-6-methylbenzimidazol-2-amine
SMILESCOc1cc(-n2c(N)nc3ccc(C)cc32)ccc1F
InChIInChI=1S/C15H14FN3O/c1-9-3-6-12-13(7-9)19(15(17)18-12)10-4-5-11(16)14(8-10)20-2/h3-8H,1-2H3,(H2,17,18)
InChIKeyKMBNCMQJQHCKQS-UHFFFAOYSA-N
MW271.30 g/mol
LogP3.06
Rot. Bonds2

About 1-(4-fluoro-3-methoxyphenyl)-6-methylbenzimidazol-2-amine

1-(4-fluoro-3-methoxyphenyl)-6-methylbenzimidazol-2-amine (PubChem CID 114840209) has the molecular formula C15H14FN3O and a molecular weight of 271.30 g/mol. Its IUPAC name is 1-(4-fluoro-3-methoxyphenyl)-6-methylbenzimidazol-2-amine.

Molecular Properties

Compound Name1-(4-fluoro-3-methoxyphenyl)-6-methylbenzimidazol-2-amine
PubChem CID114840209
Molecular FormulaC15H14FN3O
Molecular Weight271.30 g/mol
Exact Mass271.11
IUPAC Name1-(4-fluoro-3-methoxyphenyl)-6-methylbenzimidazol-2-amine
SMILESCOc1cc(-n2c(N)nc3ccc(C)cc32)ccc1F
InChIInChI=1S/C15H14FN3O/c1-9-3-6-12-13(7-9)19(15(17)18-12)10-4-5-11(16)14(8-10)20-2/h3-8H,1-2H3,(H2,17,18)
InChIKeyKMBNCMQJQHCKQS-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

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Related Compounds

5-bromo-1-(4-fluoro-3-methoxyphenyl)benzimidazol-2-amine
CID 114840220
1-(3,4-dimethylphenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 63599291
5-fluoro-1-(2-fluoro-4-methylphenyl)-6-methoxybenzimidazol-2-amine
CID 63597352
4-(2-amino-6-methylbenzimidazol-1-yl)phenol
CID 84799602
5-bromo-1-(4-bromo-3-methoxyphenyl)-6-fluorobenzimidazol-2-amine
CID 82859589
1-(4-bromophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 63599811
6-chloro-2-(chloromethyl)-1-(4-fluoro-3-methoxyphenyl)benzimidazole
CID 114840293
1-(3,4-dimethoxyphenyl)-5-fluorobenzimidazol-2-amine
CID 43661963
1-(4-bromo-3-methoxyphenyl)-6,7-difluorobenzimidazol-2-amine
CID 82859399
1-(4-chloro-3-methoxyphenyl)-6-fluoro-5-iodobenzimidazol-2-amine
CID 107622311
6-bromo-1-(4-chloro-3-methoxyphenyl)-5-fluorobenzimidazol-2-amine
CID 107622297
1-(3,5-dimethoxyphenyl)-6-fluorobenzimidazol-2-amine
CID 62376839

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methoxyphenyl)-6-methylbenzimidazol-2-amine?
The IUPAC name of 1-(4-fluoro-3-methoxyphenyl)-6-methylbenzimidazol-2-amine (CID 114840209) is 1-(4-fluoro-3-methoxyphenyl)-6-methylbenzimidazol-2-amine.
What is the SMILES notation for 1-(4-fluoro-3-methoxyphenyl)-6-methylbenzimidazol-2-amine?
The canonical SMILES for 1-(4-fluoro-3-methoxyphenyl)-6-methylbenzimidazol-2-amine is COc1cc(-n2c(N)nc3ccc(C)cc32)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methoxyphenyl)-6-methylbenzimidazol-2-amine?
The InChIKey is KMBNCMQJQHCKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O/c1-9-3-6-12-13(7-9)19(15(17)18-12)10-4-5-11(16)14(8-10)20-2/h3-8H,1-2H3,(H2,17,18).
What are the key properties of 1-(4-fluoro-3-methoxyphenyl)-6-methylbenzimidazol-2-amine?
1-(4-fluoro-3-methoxyphenyl)-6-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-3-methoxyphenyl)-6-methylbenzimidazol-2-amine is sourced from PubChem (CID 114840209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).