N,N-diethyl-3-[2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-amine

C23H28F3N3O — CID 155544312

IUPACN,N-diethyl-3-[2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-amine
SMILESCCN(CC)CCCn1c(Cc2ccc(OC)cc2)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C23H28F3N3O/c1-4-28(5-2)13-6-14-29-21-12-9-18(23(24,25)26)16-20(21)27-22(29)15-17-7-10-19(30-3)11-8-17/h7-12,16H,4-6,13-15H2,1-3H3
InChIKeyWSVGWSFZSOTXRE-UHFFFAOYSA-N
MW419.49 g/mol
LogP5.39
Rot. Bonds9

About N,N-diethyl-3-[2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-amine

N,N-diethyl-3-[2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-amine (PubChem CID 155544312) has the molecular formula C23H28F3N3O and a molecular weight of 419.49 g/mol. Its IUPAC name is N,N-diethyl-3-[2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-3-[2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-amine
PubChem CID155544312
Molecular FormulaC23H28F3N3O
Molecular Weight419.49 g/mol
Exact Mass419.22
IUPAC NameN,N-diethyl-3-[2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-amine
SMILESCCN(CC)CCCn1c(Cc2ccc(OC)cc2)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C23H28F3N3O/c1-4-28(5-2)13-6-14-29-21-12-9-18(23(24,25)26)16-20(21)27-22(29)15-17-7-10-19(30-3)11-8-17/h7-12,16H,4-6,13-15H2,1-3H3
InChIKeyWSVGWSFZSOTXRE-UHFFFAOYSA-N
XLogP5.39
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.49
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-diethyl-3-[2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-amine 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,N-diethyl-3-[2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-amine?
The IUPAC name of N,N-diethyl-3-[2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-amine (CID 155544312) is N,N-diethyl-3-[2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-amine.
What is the SMILES notation for N,N-diethyl-3-[2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-amine?
The canonical SMILES for N,N-diethyl-3-[2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-amine is CCN(CC)CCCn1c(Cc2ccc(OC)cc2)nc2cc(C(F)(F)F)ccc21.
What is the InChIKey of N,N-diethyl-3-[2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-amine?
The InChIKey is WSVGWSFZSOTXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N3O/c1-4-28(5-2)13-6-14-29-21-12-9-18(23(24,25)26)16-20(21)27-22(29)15-17-7-10-19(30-3)11-8-17/h7-12,16H,4-6,13-15H2,1-3H3.
What are the key properties of N,N-diethyl-3-[2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-amine?
N,N-diethyl-3-[2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-amine has a molecular weight of 419.49 g/mol, XLogP of 5.39, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-amine is sourced from PubChem (CID 155544312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).