5-(3-methoxyphenyl)-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-amine;hydrochloride

C20H16ClF3N4O — CID 44532879

IUPAC5-(3-methoxyphenyl)-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-amine;hydrochloride
SMILESCOc1cccc(-c2cnc(N)c(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)c1.Cl
InChIInChI=1S/C20H15F3N4O.ClH/c1-28-14-4-2-3-11(7-14)12-8-15(18(24)25-10-12)19-26-16-6-5-13(20(21,22)23)9-17(16)27-19;/h2-10H,1H3,(H2,24,25)(H,26,27);1H
InChIKeyUJIBDDJMQFGUEU-UHFFFAOYSA-N
MW420.82 g/mol
LogP5.32
Rot. Bonds3

About 5-(3-methoxyphenyl)-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-amine;hydrochloride

5-(3-methoxyphenyl)-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-amine;hydrochloride (PubChem CID 44532879) has the molecular formula C20H16ClF3N4O and a molecular weight of 420.82 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-amine;hydrochloride.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-amine;hydrochloride
PubChem CID44532879
Molecular FormulaC20H16ClF3N4O
Molecular Weight420.82 g/mol
Exact Mass420.10
IUPAC Name5-(3-methoxyphenyl)-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-amine;hydrochloride
SMILESCOc1cccc(-c2cnc(N)c(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)c1.Cl
InChIInChI=1S/C20H15F3N4O.ClH/c1-28-14-4-2-3-11(7-14)12-8-15(18(24)25-10-12)19-26-16-6-5-13(20(21,22)23)9-17(16)27-19;/h2-10H,1H3,(H2,24,25)(H,26,27);1H
InChIKeyUJIBDDJMQFGUEU-UHFFFAOYSA-N
XLogP5.32
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.82
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(3-methoxyphenyl)-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-amine;hydrochloride 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 5-(3-methoxyphenyl)-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-amine;hydrochloride?
The IUPAC name of 5-(3-methoxyphenyl)-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-amine;hydrochloride (CID 44532879) is 5-(3-methoxyphenyl)-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-amine;hydrochloride.
What is the SMILES notation for 5-(3-methoxyphenyl)-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-amine;hydrochloride?
The canonical SMILES for 5-(3-methoxyphenyl)-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-amine;hydrochloride is COc1cccc(-c2cnc(N)c(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)c1.Cl.
What is the InChIKey of 5-(3-methoxyphenyl)-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-amine;hydrochloride?
The InChIKey is UJIBDDJMQFGUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O.ClH/c1-28-14-4-2-3-11(7-14)12-8-15(18(24)25-10-12)19-26-16-6-5-13(20(21,22)23)9-17(16)27-19;/h2-10H,1H3,(H2,24,25)(H,26,27);1H.
What are the key properties of 5-(3-methoxyphenyl)-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-amine;hydrochloride?
5-(3-methoxyphenyl)-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-amine;hydrochloride has a molecular weight of 420.82 g/mol, XLogP of 5.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-amine;hydrochloride is sourced from PubChem (CID 44532879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).