4-[[[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]methyl-[(3-ethoxyphenyl)methyl]amino]methyl]benzamide

C32H35F3N4O2 — CID 18437939

IUPAC4-[[[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]methyl-[(3-ethoxyphenyl)methyl]amino]methyl]benzamide
SMILESCCCCn1c(-c2ccccc2)nc(C(F)(F)F)c1CN(Cc1ccc(C(N)=O)cc1)Cc1cccc(OCC)c1
InChIInChI=1S/C32H35F3N4O2/c1-3-5-18-39-28(29(32(33,34)35)37-31(39)26-11-7-6-8-12-26)22-38(20-23-14-16-25(17-15-23)30(36)40)21-24-10-9-13-27(19-24)41-4-2/h6-17,19H,3-5,18,20-22H2,1-2H3,(H2,36,40)
InChIKeyBKHDNXCNIURPOY-UHFFFAOYSA-N
MW564.65 g/mol
LogP7.07
Rot. Bonds13

About 4-[[[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]methyl-[(3-ethoxyphenyl)methyl]amino]methyl]benzamide

4-[[[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]methyl-[(3-ethoxyphenyl)methyl]amino]methyl]benzamide (PubChem CID 18437939) has the molecular formula C32H35F3N4O2 and a molecular weight of 564.65 g/mol. Its IUPAC name is 4-[[[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]methyl-[(3-ethoxyphenyl)methyl]amino]methyl]benzamide.

Molecular Properties

Compound Name4-[[[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]methyl-[(3-ethoxyphenyl)methyl]amino]methyl]benzamide
PubChem CID18437939
Molecular FormulaC32H35F3N4O2
Molecular Weight564.65 g/mol
Exact Mass564.27
IUPAC Name4-[[[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]methyl-[(3-ethoxyphenyl)methyl]amino]methyl]benzamide
SMILESCCCCn1c(-c2ccccc2)nc(C(F)(F)F)c1CN(Cc1ccc(C(N)=O)cc1)Cc1cccc(OCC)c1
InChIInChI=1S/C32H35F3N4O2/c1-3-5-18-39-28(29(32(33,34)35)37-31(39)26-11-7-6-8-12-26)22-38(20-23-14-16-25(17-15-23)30(36)40)21-24-10-9-13-27(19-24)41-4-2/h6-17,19H,3-5,18,20-22H2,1-2H3,(H2,36,40)
InChIKeyBKHDNXCNIURPOY-UHFFFAOYSA-N
XLogP7.07
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.65
LogP ≤ 57.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]methyl-[(3-ethoxyphenyl)methyl]amino]methyl]benzamide 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 4-[[[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]methyl-[(3-ethoxyphenyl)methyl]amino]methyl]benzamide?
The IUPAC name of 4-[[[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]methyl-[(3-ethoxyphenyl)methyl]amino]methyl]benzamide (CID 18437939) is 4-[[[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]methyl-[(3-ethoxyphenyl)methyl]amino]methyl]benzamide.
What is the SMILES notation for 4-[[[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]methyl-[(3-ethoxyphenyl)methyl]amino]methyl]benzamide?
The canonical SMILES for 4-[[[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]methyl-[(3-ethoxyphenyl)methyl]amino]methyl]benzamide is CCCCn1c(-c2ccccc2)nc(C(F)(F)F)c1CN(Cc1ccc(C(N)=O)cc1)Cc1cccc(OCC)c1.
What is the InChIKey of 4-[[[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]methyl-[(3-ethoxyphenyl)methyl]amino]methyl]benzamide?
The InChIKey is BKHDNXCNIURPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35F3N4O2/c1-3-5-18-39-28(29(32(33,34)35)37-31(39)26-11-7-6-8-12-26)22-38(20-23-14-16-25(17-15-23)30(36)40)21-24-10-9-13-27(19-24)41-4-2/h6-17,19H,3-5,18,20-22H2,1-2H3,(H2,36,40).
What are the key properties of 4-[[[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]methyl-[(3-ethoxyphenyl)methyl]amino]methyl]benzamide?
4-[[[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]methyl-[(3-ethoxyphenyl)methyl]amino]methyl]benzamide has a molecular weight of 564.65 g/mol, XLogP of 7.07, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]methyl-[(3-ethoxyphenyl)methyl]amino]methyl]benzamide is sourced from PubChem (CID 18437939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).