5-(1,3-benzodioxol-5-yl)-1-methyl-N-[(4-phenylphenyl)methyl]imidazol-2-amine

C24H21N3O2 — CID 4274772

IUPAC5-(1,3-benzodioxol-5-yl)-1-methyl-N-[(4-phenylphenyl)methyl]imidazol-2-amine
SMILESCn1c(-c2ccc3c(c2)OCO3)cnc1NCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H21N3O2/c1-27-21(20-11-12-22-23(13-20)29-16-28-22)15-26-24(27)25-14-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-13,15H,14,16H2,1H3,(H,25,26)
InChIKeyYOHMXLGDPJLDIH-UHFFFAOYSA-N
MW383.45 g/mol
LogP5.09
Rot. Bonds5

About 5-(1,3-benzodioxol-5-yl)-1-methyl-N-[(4-phenylphenyl)methyl]imidazol-2-amine

5-(1,3-benzodioxol-5-yl)-1-methyl-N-[(4-phenylphenyl)methyl]imidazol-2-amine (PubChem CID 4274772) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-1-methyl-N-[(4-phenylphenyl)methyl]imidazol-2-amine.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-1-methyl-N-[(4-phenylphenyl)methyl]imidazol-2-amine
PubChem CID4274772
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name5-(1,3-benzodioxol-5-yl)-1-methyl-N-[(4-phenylphenyl)methyl]imidazol-2-amine
SMILESCn1c(-c2ccc3c(c2)OCO3)cnc1NCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H21N3O2/c1-27-21(20-11-12-22-23(13-20)29-16-28-22)15-26-24(27)25-14-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-13,15H,14,16H2,1H3,(H,25,26)
InChIKeyYOHMXLGDPJLDIH-UHFFFAOYSA-N
XLogP5.09
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.45
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(1,3-benzodioxol-5-yl)-1-methyl-N-[(4-phenylphenyl)methyl]imidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1,3-benzodioxol-5-yl)-1-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine;oxalic acid
CID 646935
5-(1,3-benzodioxol-5-yl)-N-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-amine
CID 1096522
5-(1,3-benzodioxol-5-yl)-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine
CID 1096543
5-(1,3-benzodioxol-5-yl)-N-[(3-chlorophenyl)methyl]-1-methylimidazol-2-amine
CID 650427
5-(1,3-benzodioxol-5-yl)-N-[(3-chlorophenyl)methyl]-1-methylimidazol-2-amine;oxalic acid
CID 650426
4-[[[5-(1,3-benzodioxol-5-yl)-1-methylimidazol-2-yl]amino]methyl]-2-bromo-6-methoxyphenol
CID 3391166
1-methyl-N-[(4-methylsulfanylphenyl)methyl]-5-(4-phenylphenyl)imidazol-2-amine
CID 3689162
1-methyl-5-(3-nitrophenyl)-N-[(4-phenylphenyl)methyl]imidazol-2-amine
CID 3556479
N-[(4-fluorophenyl)methyl]-1-methyl-5-phenylimidazol-2-amine
CID 1096454
2-[[[1-methyl-5-(4-phenylphenyl)imidazol-2-yl]amino]methyl]phenol
CID 3533703
1-methyl-5-(4-phenylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]imidazol-2-amine
CID 4268293
N-[(2-fluorophenyl)methyl]-1-methyl-5-(4-phenylphenyl)imidazol-2-amine
CID 4654948

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-1-methyl-N-[(4-phenylphenyl)methyl]imidazol-2-amine?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-1-methyl-N-[(4-phenylphenyl)methyl]imidazol-2-amine (CID 4274772) is 5-(1,3-benzodioxol-5-yl)-1-methyl-N-[(4-phenylphenyl)methyl]imidazol-2-amine.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-1-methyl-N-[(4-phenylphenyl)methyl]imidazol-2-amine?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-1-methyl-N-[(4-phenylphenyl)methyl]imidazol-2-amine is Cn1c(-c2ccc3c(c2)OCO3)cnc1NCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-1-methyl-N-[(4-phenylphenyl)methyl]imidazol-2-amine?
The InChIKey is YOHMXLGDPJLDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-27-21(20-11-12-22-23(13-20)29-16-28-22)15-26-24(27)25-14-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-13,15H,14,16H2,1H3,(H,25,26).
What are the key properties of 5-(1,3-benzodioxol-5-yl)-1-methyl-N-[(4-phenylphenyl)methyl]imidazol-2-amine?
5-(1,3-benzodioxol-5-yl)-1-methyl-N-[(4-phenylphenyl)methyl]imidazol-2-amine has a molecular weight of 383.45 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-yl)-1-methyl-N-[(4-phenylphenyl)methyl]imidazol-2-amine is sourced from PubChem (CID 4274772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).