1-[(4-phenylphenyl)methyl]-5-(trifluoromethyl)benzimidazol-2-amine

C21H16F3N3 — CID 19390948

IUPAC1-[(4-phenylphenyl)methyl]-5-(trifluoromethyl)benzimidazol-2-amine
SMILESNc1nc2cc(C(F)(F)F)ccc2n1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H16F3N3/c22-21(23,24)17-10-11-19-18(12-17)26-20(25)27(19)13-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-12H,13H2,(H2,25,26)
InChIKeyZPOSRGXYPJMABH-UHFFFAOYSA-N
MW367.37 g/mol
LogP5.35
Rot. Bonds3

About 1-[(4-phenylphenyl)methyl]-5-(trifluoromethyl)benzimidazol-2-amine

1-[(4-phenylphenyl)methyl]-5-(trifluoromethyl)benzimidazol-2-amine (PubChem CID 19390948) has the molecular formula C21H16F3N3 and a molecular weight of 367.37 g/mol. Its IUPAC name is 1-[(4-phenylphenyl)methyl]-5-(trifluoromethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name1-[(4-phenylphenyl)methyl]-5-(trifluoromethyl)benzimidazol-2-amine
PubChem CID19390948
Molecular FormulaC21H16F3N3
Molecular Weight367.37 g/mol
Exact Mass367.13
IUPAC Name1-[(4-phenylphenyl)methyl]-5-(trifluoromethyl)benzimidazol-2-amine
SMILESNc1nc2cc(C(F)(F)F)ccc2n1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H16F3N3/c22-21(23,24)17-10-11-19-18(12-17)26-20(25)27(19)13-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-12H,13H2,(H2,25,26)
InChIKeyZPOSRGXYPJMABH-UHFFFAOYSA-N
XLogP5.35
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.37
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-phenylphenyl)methyl]-5-(trifluoromethyl)benzimidazol-2-amine?
The IUPAC name of 1-[(4-phenylphenyl)methyl]-5-(trifluoromethyl)benzimidazol-2-amine (CID 19390948) is 1-[(4-phenylphenyl)methyl]-5-(trifluoromethyl)benzimidazol-2-amine.
What is the SMILES notation for 1-[(4-phenylphenyl)methyl]-5-(trifluoromethyl)benzimidazol-2-amine?
The canonical SMILES for 1-[(4-phenylphenyl)methyl]-5-(trifluoromethyl)benzimidazol-2-amine is Nc1nc2cc(C(F)(F)F)ccc2n1Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-[(4-phenylphenyl)methyl]-5-(trifluoromethyl)benzimidazol-2-amine?
The InChIKey is ZPOSRGXYPJMABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3/c22-21(23,24)17-10-11-19-18(12-17)26-20(25)27(19)13-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-12H,13H2,(H2,25,26).
What are the key properties of 1-[(4-phenylphenyl)methyl]-5-(trifluoromethyl)benzimidazol-2-amine?
1-[(4-phenylphenyl)methyl]-5-(trifluoromethyl)benzimidazol-2-amine has a molecular weight of 367.37 g/mol, XLogP of 5.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-phenylphenyl)methyl]-5-(trifluoromethyl)benzimidazol-2-amine is sourced from PubChem (CID 19390948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).