1-(3-ethyl-1-methylpyrazol-4-yl)-5-fluoro-6-methoxybenzimidazol-2-amine

C14H16FN5O — CID 107463943

IUPAC1-(3-ethyl-1-methylpyrazol-4-yl)-5-fluoro-6-methoxybenzimidazol-2-amine
SMILESCCc1nn(C)cc1-n1c(N)nc2cc(F)c(OC)cc21
InChIInChI=1S/C14H16FN5O/c1-4-9-12(7-19(2)18-9)20-11-6-13(21-3)8(15)5-10(11)17-14(20)16/h5-7H,4H2,1-3H3,(H2,16,17)
InChIKeyPNZHGQNVZKQWTP-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.05
Rot. Bonds3

About 1-(3-ethyl-1-methylpyrazol-4-yl)-5-fluoro-6-methoxybenzimidazol-2-amine

1-(3-ethyl-1-methylpyrazol-4-yl)-5-fluoro-6-methoxybenzimidazol-2-amine (PubChem CID 107463943) has the molecular formula C14H16FN5O and a molecular weight of 289.31 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-4-yl)-5-fluoro-6-methoxybenzimidazol-2-amine.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-4-yl)-5-fluoro-6-methoxybenzimidazol-2-amine
PubChem CID107463943
Molecular FormulaC14H16FN5O
Molecular Weight289.31 g/mol
Exact Mass289.13
IUPAC Name1-(3-ethyl-1-methylpyrazol-4-yl)-5-fluoro-6-methoxybenzimidazol-2-amine
SMILESCCc1nn(C)cc1-n1c(N)nc2cc(F)c(OC)cc21
InChIInChI=1S/C14H16FN5O/c1-4-9-12(7-19(2)18-9)20-11-6-13(21-3)8(15)5-10(11)17-14(20)16/h5-7H,4H2,1-3H3,(H2,16,17)
InChIKeyPNZHGQNVZKQWTP-UHFFFAOYSA-N
XLogP2.05
TPSA70.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(3-ethyl-1-methylpyrazol-4-yl)-5-fluoro-6-methoxybenzimidazol-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-(3-ethyl-1-methylpyrazol-4-yl)-5-methoxybenzimidazol-2-amine
CID 107463924
5-fluoro-1-(4-fluoro-2-iodophenyl)-6-methoxybenzimidazol-2-amine
CID 79761482
5-fluoro-1-(2-fluoro-4-methylphenyl)-6-methoxybenzimidazol-2-amine
CID 63597352
1-(4-bromo-2-fluorophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 63598230
1-(3-ethyl-1-methylpyrazol-4-yl)-4-fluorobenzimidazol-2-amine
CID 107463913
1-(2,5-dichlorophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 63598050
1-(4-bromo-2-chlorophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 63598406
1-(2-fluorophenyl)-5,6-dimethoxybenzimidazol-2-amine
CID 83003060
1-(3,4-dimethylphenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 63599291
1-(2,6-dibromophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 107601345
1-(4-bromophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 63599811
6-chloro-3-(3-ethyl-1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine
CID 107463910

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-5-fluoro-6-methoxybenzimidazol-2-amine?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-5-fluoro-6-methoxybenzimidazol-2-amine (CID 107463943) is 1-(3-ethyl-1-methylpyrazol-4-yl)-5-fluoro-6-methoxybenzimidazol-2-amine.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-4-yl)-5-fluoro-6-methoxybenzimidazol-2-amine?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-4-yl)-5-fluoro-6-methoxybenzimidazol-2-amine is CCc1nn(C)cc1-n1c(N)nc2cc(F)c(OC)cc21.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-4-yl)-5-fluoro-6-methoxybenzimidazol-2-amine?
The InChIKey is PNZHGQNVZKQWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN5O/c1-4-9-12(7-19(2)18-9)20-11-6-13(21-3)8(15)5-10(11)17-14(20)16/h5-7H,4H2,1-3H3,(H2,16,17).
What are the key properties of 1-(3-ethyl-1-methylpyrazol-4-yl)-5-fluoro-6-methoxybenzimidazol-2-amine?
1-(3-ethyl-1-methylpyrazol-4-yl)-5-fluoro-6-methoxybenzimidazol-2-amine has a molecular weight of 289.31 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-4-yl)-5-fluoro-6-methoxybenzimidazol-2-amine is sourced from PubChem (CID 107463943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).