1-[[3-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]methyl]benzimidazol-2-amine

C22H19F3N4O2 — CID 177372638

IUPAC1-[[3-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]methyl]benzimidazol-2-amine
SMILESCOc1cc(Cn2c(N)nc3ccccc32)ccc1OCc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C22H19F3N4O2/c1-30-19-10-14(12-29-17-5-3-2-4-16(17)28-21(29)26)6-8-18(19)31-13-15-7-9-20(27-11-15)22(23,24)25/h2-11H,12-13H2,1H3,(H2,26,28)
InChIKeyJMCPYEWZCLFLDW-UHFFFAOYSA-N
MW428.41 g/mol
LogP4.67
Rot. Bonds6

About 1-[[3-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]methyl]benzimidazol-2-amine

1-[[3-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]methyl]benzimidazol-2-amine (PubChem CID 177372638) has the molecular formula C22H19F3N4O2 and a molecular weight of 428.41 g/mol. Its IUPAC name is 1-[[3-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name1-[[3-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]methyl]benzimidazol-2-amine
PubChem CID177372638
Molecular FormulaC22H19F3N4O2
Molecular Weight428.41 g/mol
Exact Mass428.15
IUPAC Name1-[[3-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]methyl]benzimidazol-2-amine
SMILESCOc1cc(Cn2c(N)nc3ccccc32)ccc1OCc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C22H19F3N4O2/c1-30-19-10-14(12-29-17-5-3-2-4-16(17)28-21(29)26)6-8-18(19)31-13-15-7-9-20(27-11-15)22(23,24)25/h2-11H,12-13H2,1H3,(H2,26,28)
InChIKeyJMCPYEWZCLFLDW-UHFFFAOYSA-N
XLogP4.67
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.41
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[[3-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]methyl]benzimidazol-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

Frequently Asked Questions

What is the IUPAC name of 1-[[3-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]methyl]benzimidazol-2-amine?
The IUPAC name of 1-[[3-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]methyl]benzimidazol-2-amine (CID 177372638) is 1-[[3-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]methyl]benzimidazol-2-amine.
What is the SMILES notation for 1-[[3-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]methyl]benzimidazol-2-amine?
The canonical SMILES for 1-[[3-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]methyl]benzimidazol-2-amine is COc1cc(Cn2c(N)nc3ccccc32)ccc1OCc1ccc(C(F)(F)F)nc1.
What is the InChIKey of 1-[[3-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]methyl]benzimidazol-2-amine?
The InChIKey is JMCPYEWZCLFLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O2/c1-30-19-10-14(12-29-17-5-3-2-4-16(17)28-21(29)26)6-8-18(19)31-13-15-7-9-20(27-11-15)22(23,24)25/h2-11H,12-13H2,1H3,(H2,26,28).
What are the key properties of 1-[[3-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]methyl]benzimidazol-2-amine?
1-[[3-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]methyl]benzimidazol-2-amine has a molecular weight of 428.41 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]methyl]benzimidazol-2-amine is sourced from PubChem (CID 177372638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).