1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-[(3,4-difluorophenyl)methyl]benzimidazol-2-amine

C22H15ClF5N3 — CID 11525259

IUPAC1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-[(3,4-difluorophenyl)methyl]benzimidazol-2-amine
SMILESFc1ccc(CNc2nc3ccccc3n2Cc2ccc(Cl)c(C(F)(F)F)c2)cc1F
InChIInChI=1S/C22H15ClF5N3/c23-16-7-5-14(9-15(16)22(26,27)28)12-31-20-4-2-1-3-19(20)30-21(31)29-11-13-6-8-17(24)18(25)10-13/h1-10H,11-12H2,(H,29,30)
InChIKeyUGCVIZGMHYOEKV-UHFFFAOYSA-N
MW451.83 g/mol
LogP6.65
Rot. Bonds5

About 1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-[(3,4-difluorophenyl)methyl]benzimidazol-2-amine

1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-[(3,4-difluorophenyl)methyl]benzimidazol-2-amine (PubChem CID 11525259) has the molecular formula C22H15ClF5N3 and a molecular weight of 451.83 g/mol. Its IUPAC name is 1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-[(3,4-difluorophenyl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-[(3,4-difluorophenyl)methyl]benzimidazol-2-amine
PubChem CID11525259
Molecular FormulaC22H15ClF5N3
Molecular Weight451.83 g/mol
Exact Mass451.09
IUPAC Name1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-[(3,4-difluorophenyl)methyl]benzimidazol-2-amine
SMILESFc1ccc(CNc2nc3ccccc3n2Cc2ccc(Cl)c(C(F)(F)F)c2)cc1F
InChIInChI=1S/C22H15ClF5N3/c23-16-7-5-14(9-15(16)22(26,27)28)12-31-20-4-2-1-3-19(20)30-21(31)29-11-13-6-8-17(24)18(25)10-13/h1-10H,11-12H2,(H,29,30)
InChIKeyUGCVIZGMHYOEKV-UHFFFAOYSA-N
XLogP6.65
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.83
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-[(3,4-difluorophenyl)methyl]benzimidazol-2-amine?
The IUPAC name of 1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-[(3,4-difluorophenyl)methyl]benzimidazol-2-amine (CID 11525259) is 1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-[(3,4-difluorophenyl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-[(3,4-difluorophenyl)methyl]benzimidazol-2-amine?
The canonical SMILES for 1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-[(3,4-difluorophenyl)methyl]benzimidazol-2-amine is Fc1ccc(CNc2nc3ccccc3n2Cc2ccc(Cl)c(C(F)(F)F)c2)cc1F.
What is the InChIKey of 1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-[(3,4-difluorophenyl)methyl]benzimidazol-2-amine?
The InChIKey is UGCVIZGMHYOEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClF5N3/c23-16-7-5-14(9-15(16)22(26,27)28)12-31-20-4-2-1-3-19(20)30-21(31)29-11-13-6-8-17(24)18(25)10-13/h1-10H,11-12H2,(H,29,30).
What are the key properties of 1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-[(3,4-difluorophenyl)methyl]benzimidazol-2-amine?
1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-[(3,4-difluorophenyl)methyl]benzimidazol-2-amine has a molecular weight of 451.83 g/mol, XLogP of 6.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-[(3,4-difluorophenyl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 11525259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).