N-[(2,3-dimethylphenyl)methyl]-3-methyl-N-[[2-phenyl-3-(2-phenylethyl)imidazol-4-yl]methyl]butan-1-amine

C32H39N3 — CID 69333288

IUPACN-[(2,3-dimethylphenyl)methyl]-3-methyl-N-[[2-phenyl-3-(2-phenylethyl)imidazol-4-yl]methyl]butan-1-amine
SMILESCc1cccc(CN(CCC(C)C)Cc2cnc(-c3ccccc3)n2CCc2ccccc2)c1C
InChIInChI=1S/C32H39N3/c1-25(2)18-20-34(23-30-17-11-12-26(3)27(30)4)24-31-22-33-32(29-15-9-6-10-16-29)35(31)21-19-28-13-7-5-8-14-28/h5-17,22,25H,18-21,23-24H2,1-4H3
InChIKeyRXFHHCXVIDMNBX-UHFFFAOYSA-N
MW465.69 g/mol
LogP7.46
Rot. Bonds11

About N-[(2,3-dimethylphenyl)methyl]-3-methyl-N-[[2-phenyl-3-(2-phenylethyl)imidazol-4-yl]methyl]butan-1-amine

N-[(2,3-dimethylphenyl)methyl]-3-methyl-N-[[2-phenyl-3-(2-phenylethyl)imidazol-4-yl]methyl]butan-1-amine (PubChem CID 69333288) has the molecular formula C32H39N3 and a molecular weight of 465.69 g/mol. Its IUPAC name is N-[(2,3-dimethylphenyl)methyl]-3-methyl-N-[[2-phenyl-3-(2-phenylethyl)imidazol-4-yl]methyl]butan-1-amine.

Molecular Properties

Compound NameN-[(2,3-dimethylphenyl)methyl]-3-methyl-N-[[2-phenyl-3-(2-phenylethyl)imidazol-4-yl]methyl]butan-1-amine
PubChem CID69333288
Molecular FormulaC32H39N3
Molecular Weight465.69 g/mol
Exact Mass465.31
IUPAC NameN-[(2,3-dimethylphenyl)methyl]-3-methyl-N-[[2-phenyl-3-(2-phenylethyl)imidazol-4-yl]methyl]butan-1-amine
SMILESCc1cccc(CN(CCC(C)C)Cc2cnc(-c3ccccc3)n2CCc2ccccc2)c1C
InChIInChI=1S/C32H39N3/c1-25(2)18-20-34(23-30-17-11-12-26(3)27(30)4)24-31-22-33-32(29-15-9-6-10-16-29)35(31)21-19-28-13-7-5-8-14-28/h5-17,22,25H,18-21,23-24H2,1-4H3
InChIKeyRXFHHCXVIDMNBX-UHFFFAOYSA-N
XLogP7.46
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.69
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(2,3-dimethylphenyl)methyl]-3-methyl-N-[[2-phenyl-3-(2-phenylethyl)imidazol-4-yl]methyl]butan-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-[(2,3-dimethylphenyl)methyl]-3-methyl-N-[[2-phenyl-3-(2-phenylethyl)imidazol-4-yl]methyl]butan-1-amine?
The IUPAC name of N-[(2,3-dimethylphenyl)methyl]-3-methyl-N-[[2-phenyl-3-(2-phenylethyl)imidazol-4-yl]methyl]butan-1-amine (CID 69333288) is N-[(2,3-dimethylphenyl)methyl]-3-methyl-N-[[2-phenyl-3-(2-phenylethyl)imidazol-4-yl]methyl]butan-1-amine.
What is the SMILES notation for N-[(2,3-dimethylphenyl)methyl]-3-methyl-N-[[2-phenyl-3-(2-phenylethyl)imidazol-4-yl]methyl]butan-1-amine?
The canonical SMILES for N-[(2,3-dimethylphenyl)methyl]-3-methyl-N-[[2-phenyl-3-(2-phenylethyl)imidazol-4-yl]methyl]butan-1-amine is Cc1cccc(CN(CCC(C)C)Cc2cnc(-c3ccccc3)n2CCc2ccccc2)c1C.
What is the InChIKey of N-[(2,3-dimethylphenyl)methyl]-3-methyl-N-[[2-phenyl-3-(2-phenylethyl)imidazol-4-yl]methyl]butan-1-amine?
The InChIKey is RXFHHCXVIDMNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N3/c1-25(2)18-20-34(23-30-17-11-12-26(3)27(30)4)24-31-22-33-32(29-15-9-6-10-16-29)35(31)21-19-28-13-7-5-8-14-28/h5-17,22,25H,18-21,23-24H2,1-4H3.
What are the key properties of N-[(2,3-dimethylphenyl)methyl]-3-methyl-N-[[2-phenyl-3-(2-phenylethyl)imidazol-4-yl]methyl]butan-1-amine?
N-[(2,3-dimethylphenyl)methyl]-3-methyl-N-[[2-phenyl-3-(2-phenylethyl)imidazol-4-yl]methyl]butan-1-amine has a molecular weight of 465.69 g/mol, XLogP of 7.46, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethylphenyl)methyl]-3-methyl-N-[[2-phenyl-3-(2-phenylethyl)imidazol-4-yl]methyl]butan-1-amine is sourced from PubChem (CID 69333288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).