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

C17H17F3N4 — CID 18522078

IUPAC1-[[4-(dimethylamino)phenyl]methyl]-5-(trifluoromethyl)benzimidazol-2-amine
SMILESCN(C)c1ccc(Cn2c(N)nc3cc(C(F)(F)F)ccc32)cc1
InChIInChI=1S/C17H17F3N4/c1-23(2)13-6-3-11(4-7-13)10-24-15-8-5-12(17(18,19)20)9-14(15)22-16(24)21/h3-9H,10H2,1-2H3,(H2,21,22)
InChIKeyHNDLHCCYZFQVNZ-UHFFFAOYSA-N
MW334.35 g/mol
LogP3.75
Rot. Bonds3

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

1-[[4-(dimethylamino)phenyl]methyl]-5-(trifluoromethyl)benzimidazol-2-amine (PubChem CID 18522078) has the molecular formula C17H17F3N4 and a molecular weight of 334.35 g/mol. Its IUPAC name is 1-[[4-(dimethylamino)phenyl]methyl]-5-(trifluoromethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name1-[[4-(dimethylamino)phenyl]methyl]-5-(trifluoromethyl)benzimidazol-2-amine
PubChem CID18522078
Molecular FormulaC17H17F3N4
Molecular Weight334.35 g/mol
Exact Mass334.14
IUPAC Name1-[[4-(dimethylamino)phenyl]methyl]-5-(trifluoromethyl)benzimidazol-2-amine
SMILESCN(C)c1ccc(Cn2c(N)nc3cc(C(F)(F)F)ccc32)cc1
InChIInChI=1S/C17H17F3N4/c1-23(2)13-6-3-11(4-7-13)10-24-15-8-5-12(17(18,19)20)9-14(15)22-16(24)21/h3-9H,10H2,1-2H3,(H2,21,22)
InChIKeyHNDLHCCYZFQVNZ-UHFFFAOYSA-N
XLogP3.75
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[(4-phenylphenyl)methyl]-5-(trifluoromethyl)benzimidazol-2-amine
CID 19390948
1-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)benzimidazol-2-amine
CID 115502072
1-[(5-methylfuran-2-yl)methyl]-5-(trifluoromethyl)benzimidazol-2-amine
CID 115502083
1-butyl-5-(trifluoromethyl)benzimidazol-2-amine
CID 115501979
1-benzyl-2-methyl-5-(trifluoromethyl)benzimidazole
CID 757530
5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazol-2-amine
CID 43661623
3-[2-amino-5-(trifluoromethyl)benzimidazol-1-yl]-N-methylpropanamide
CID 115502066
1-pentan-3-yl-5-(trifluoromethyl)benzimidazol-2-amine
CID 115501988
1,2-dibenzyl-5-(trifluoromethyl)benzimidazole
CID 46310965
1-benzyl-2-(4-methylphenyl)-5-(trifluoromethyl)benzimidazole
CID 46310977
2-[2-(1-chloroethyl)-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-dimethylethanamine
CID 115502152
5-iodo-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine
CID 66080984

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(dimethylamino)phenyl]methyl]-5-(trifluoromethyl)benzimidazol-2-amine?
The IUPAC name of 1-[[4-(dimethylamino)phenyl]methyl]-5-(trifluoromethyl)benzimidazol-2-amine (CID 18522078) is 1-[[4-(dimethylamino)phenyl]methyl]-5-(trifluoromethyl)benzimidazol-2-amine.
What is the SMILES notation for 1-[[4-(dimethylamino)phenyl]methyl]-5-(trifluoromethyl)benzimidazol-2-amine?
The canonical SMILES for 1-[[4-(dimethylamino)phenyl]methyl]-5-(trifluoromethyl)benzimidazol-2-amine is CN(C)c1ccc(Cn2c(N)nc3cc(C(F)(F)F)ccc32)cc1.
What is the InChIKey of 1-[[4-(dimethylamino)phenyl]methyl]-5-(trifluoromethyl)benzimidazol-2-amine?
The InChIKey is HNDLHCCYZFQVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4/c1-23(2)13-6-3-11(4-7-13)10-24-15-8-5-12(17(18,19)20)9-14(15)22-16(24)21/h3-9H,10H2,1-2H3,(H2,21,22).
What are the key properties of 1-[[4-(dimethylamino)phenyl]methyl]-5-(trifluoromethyl)benzimidazol-2-amine?
1-[[4-(dimethylamino)phenyl]methyl]-5-(trifluoromethyl)benzimidazol-2-amine has a molecular weight of 334.35 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(dimethylamino)phenyl]methyl]-5-(trifluoromethyl)benzimidazol-2-amine is sourced from PubChem (CID 18522078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).