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

C26H18F3N3O2 — CID 11525464

IUPACN-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]naphthalene-1-carboxamide
SMILESCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1ccc(NC(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C26H18F3N3O2/c1-34-19-13-14-23-22(15-19)31-25(26(27,28)29)32(23)18-11-9-17(10-12-18)30-24(33)21-8-4-6-16-5-2-3-7-20(16)21/h2-15H,1H3,(H,30,33)
InChIKeyLBZLQUKJYHDFIU-UHFFFAOYSA-N
MW461.44 g/mol
LogP6.46
Rot. Bonds4

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

N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]naphthalene-1-carboxamide (PubChem CID 11525464) 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-1-carboxamide.

Molecular Properties

Compound NameN-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]naphthalene-1-carboxamide
PubChem CID11525464
Molecular FormulaC26H18F3N3O2
Molecular Weight461.44 g/mol
Exact Mass461.14
IUPAC NameN-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]naphthalene-1-carboxamide
SMILESCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1ccc(NC(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C26H18F3N3O2/c1-34-19-13-14-23-22(15-19)31-25(26(27,28)29)32(23)18-11-9-17(10-12-18)30-24(33)21-8-4-6-16-5-2-3-7-20(16)21/h2-15H,1H3,(H,30,33)
InChIKeyLBZLQUKJYHDFIU-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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]naphthalene-1-carboxamide?
The IUPAC name of N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]naphthalene-1-carboxamide (CID 11525464) is N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]naphthalene-1-carboxamide is COc1ccc2c(c1)nc(C(F)(F)F)n2-c1ccc(NC(=O)c2cccc3ccccc23)cc1.
What is the InChIKey of N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]naphthalene-1-carboxamide?
The InChIKey is LBZLQUKJYHDFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F3N3O2/c1-34-19-13-14-23-22(15-19)31-25(26(27,28)29)32(23)18-11-9-17(10-12-18)30-24(33)21-8-4-6-16-5-2-3-7-20(16)21/h2-15H,1H3,(H,30,33).
What are the key properties of N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]naphthalene-1-carboxamide?
N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]naphthalene-1-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-1-carboxamide is sourced from PubChem (CID 11525464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).