N-[(4-ethoxyphenyl)methyl]-1-methyl-5-phenylimidazol-2-amine

C19H21N3O — CID 1096450

IUPACN-[(4-ethoxyphenyl)methyl]-1-methyl-5-phenylimidazol-2-amine
SMILESCCOc1ccc(CNc2ncc(-c3ccccc3)n2C)cc1
InChIInChI=1S/C19H21N3O/c1-3-23-17-11-9-15(10-12-17)13-20-19-21-14-18(22(19)2)16-7-5-4-6-8-16/h4-12,14H,3,13H2,1-2H3,(H,20,21)
InChIKeyRAOIXTUCEXXDNV-UHFFFAOYSA-N
MW307.40 g/mol
LogP4.10
Rot. Bonds6

About N-[(4-ethoxyphenyl)methyl]-1-methyl-5-phenylimidazol-2-amine

N-[(4-ethoxyphenyl)methyl]-1-methyl-5-phenylimidazol-2-amine (PubChem CID 1096450) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-1-methyl-5-phenylimidazol-2-amine.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-1-methyl-5-phenylimidazol-2-amine
PubChem CID1096450
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC NameN-[(4-ethoxyphenyl)methyl]-1-methyl-5-phenylimidazol-2-amine
SMILESCCOc1ccc(CNc2ncc(-c3ccccc3)n2C)cc1
InChIInChI=1S/C19H21N3O/c1-3-23-17-11-9-15(10-12-17)13-20-19-21-14-18(22(19)2)16-7-5-4-6-8-16/h4-12,14H,3,13H2,1-2H3,(H,20,21)
InChIKeyRAOIXTUCEXXDNV-UHFFFAOYSA-N
XLogP4.10
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-ethoxyphenyl)methyl]-1-methyl-5-phenylimidazol-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

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-1-methyl-5-phenylimidazol-2-amine?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-1-methyl-5-phenylimidazol-2-amine (CID 1096450) is N-[(4-ethoxyphenyl)methyl]-1-methyl-5-phenylimidazol-2-amine.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-1-methyl-5-phenylimidazol-2-amine?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-1-methyl-5-phenylimidazol-2-amine is CCOc1ccc(CNc2ncc(-c3ccccc3)n2C)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-1-methyl-5-phenylimidazol-2-amine?
The InChIKey is RAOIXTUCEXXDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-3-23-17-11-9-15(10-12-17)13-20-19-21-14-18(22(19)2)16-7-5-4-6-8-16/h4-12,14H,3,13H2,1-2H3,(H,20,21).
What are the key properties of N-[(4-ethoxyphenyl)methyl]-1-methyl-5-phenylimidazol-2-amine?
N-[(4-ethoxyphenyl)methyl]-1-methyl-5-phenylimidazol-2-amine has a molecular weight of 307.40 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-1-methyl-5-phenylimidazol-2-amine is sourced from PubChem (CID 1096450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).