N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(2,6-dichlorophenyl)methyl]-1-(4-methoxyphenyl)methanamine

C35H35Cl2N3O — CID 22493826

IUPACN-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(2,6-dichlorophenyl)methyl]-1-(4-methoxyphenyl)methanamine
SMILESCCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc(OC)cc1)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C35H35Cl2N3O/c1-3-4-22-40-33(34(27-12-7-5-8-13-27)38-35(40)28-14-9-6-10-15-28)25-39(23-26-18-20-29(41-2)21-19-26)24-30-31(36)16-11-17-32(30)37/h5-21H,3-4,22-25H2,1-2H3
InChIKeyGAXFISLJYONFJB-UHFFFAOYSA-N
MW584.59 g/mol
LogP9.53
Rot. Bonds12

About N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(2,6-dichlorophenyl)methyl]-1-(4-methoxyphenyl)methanamine

N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(2,6-dichlorophenyl)methyl]-1-(4-methoxyphenyl)methanamine (PubChem CID 22493826) has the molecular formula C35H35Cl2N3O and a molecular weight of 584.59 g/mol. Its IUPAC name is N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(2,6-dichlorophenyl)methyl]-1-(4-methoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(2,6-dichlorophenyl)methyl]-1-(4-methoxyphenyl)methanamine
PubChem CID22493826
Molecular FormulaC35H35Cl2N3O
Molecular Weight584.59 g/mol
Exact Mass583.22
IUPAC NameN-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(2,6-dichlorophenyl)methyl]-1-(4-methoxyphenyl)methanamine
SMILESCCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc(OC)cc1)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C35H35Cl2N3O/c1-3-4-22-40-33(34(27-12-7-5-8-13-27)38-35(40)28-14-9-6-10-15-28)25-39(23-26-18-20-29(41-2)21-19-26)24-30-31(36)16-11-17-32(30)37/h5-21H,3-4,22-25H2,1-2H3
InChIKeyGAXFISLJYONFJB-UHFFFAOYSA-N
XLogP9.53
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.59
LogP ≤ 59.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(2,6-dichlorophenyl)methyl]-1-(4-methoxyphenyl)methanamine 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-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(2,6-dichlorophenyl)methyl]-1-(4-methoxyphenyl)methanamine?
The IUPAC name of N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(2,6-dichlorophenyl)methyl]-1-(4-methoxyphenyl)methanamine (CID 22493826) is N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(2,6-dichlorophenyl)methyl]-1-(4-methoxyphenyl)methanamine.
What is the SMILES notation for N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(2,6-dichlorophenyl)methyl]-1-(4-methoxyphenyl)methanamine?
The canonical SMILES for N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(2,6-dichlorophenyl)methyl]-1-(4-methoxyphenyl)methanamine is CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc(OC)cc1)Cc1c(Cl)cccc1Cl.
What is the InChIKey of N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(2,6-dichlorophenyl)methyl]-1-(4-methoxyphenyl)methanamine?
The InChIKey is GAXFISLJYONFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35Cl2N3O/c1-3-4-22-40-33(34(27-12-7-5-8-13-27)38-35(40)28-14-9-6-10-15-28)25-39(23-26-18-20-29(41-2)21-19-26)24-30-31(36)16-11-17-32(30)37/h5-21H,3-4,22-25H2,1-2H3.
What are the key properties of N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(2,6-dichlorophenyl)methyl]-1-(4-methoxyphenyl)methanamine?
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(2,6-dichlorophenyl)methyl]-1-(4-methoxyphenyl)methanamine has a molecular weight of 584.59 g/mol, XLogP of 9.53, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(2,6-dichlorophenyl)methyl]-1-(4-methoxyphenyl)methanamine is sourced from PubChem (CID 22493826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).