N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]naphthalene-2-carboxamide

C26H18F3N3O2 — CID 11510933

IUPACN-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]naphthalene-2-carboxamide
SMILESCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1ccc(NC(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C26H18F3N3O2/c1-34-21-12-13-23-22(15-21)31-25(26(27,28)29)32(23)20-10-8-19(9-11-20)30-24(33)18-7-6-16-4-2-3-5-17(16)14-18/h2-15H,1H3,(H,30,33)
InChIKeyYECHOPNGZNETDR-UHFFFAOYSA-N
MW461.44 g/mol
LogP6.46
Rot. Bonds4

About N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]naphthalene-2-carboxamide

N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]naphthalene-2-carboxamide (PubChem CID 11510933) has the molecular formula C26H18F3N3O2 and a molecular weight of 461.44 g/mol. Its IUPAC name is N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]naphthalene-2-carboxamide
PubChem CID11510933
Molecular FormulaC26H18F3N3O2
Molecular Weight461.44 g/mol
Exact Mass461.14
IUPAC NameN-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]naphthalene-2-carboxamide
SMILESCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1ccc(NC(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C26H18F3N3O2/c1-34-21-12-13-23-22(15-21)31-25(26(27,28)29)32(23)20-10-8-19(9-11-20)30-24(33)18-7-6-16-4-2-3-5-17(16)14-18/h2-15H,1H3,(H,30,33)
InChIKeyYECHOPNGZNETDR-UHFFFAOYSA-N
XLogP6.46
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.44
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]naphthalene-2-carboxamide 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 N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]naphthalene-2-carboxamide?
The IUPAC name of N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]naphthalene-2-carboxamide (CID 11510933) is N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]naphthalene-2-carboxamide is COc1ccc2c(c1)nc(C(F)(F)F)n2-c1ccc(NC(=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]naphthalene-2-carboxamide?
The InChIKey is YECHOPNGZNETDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F3N3O2/c1-34-21-12-13-23-22(15-21)31-25(26(27,28)29)32(23)20-10-8-19(9-11-20)30-24(33)18-7-6-16-4-2-3-5-17(16)14-18/h2-15H,1H3,(H,30,33).
What are the key properties of N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]naphthalene-2-carboxamide?
N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]naphthalene-2-carboxamide has a molecular weight of 461.44 g/mol, XLogP of 6.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 11510933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).