3-imidazol-1-yl-N-[(2-methoxyphenyl)methyl]-N-[(1-methylpyrrol-2-yl)methyl]propan-1-amine

C20H26N4O — CID 46962062

IUPAC3-imidazol-1-yl-N-[(2-methoxyphenyl)methyl]-N-[(1-methylpyrrol-2-yl)methyl]propan-1-amine
SMILESCOc1ccccc1CN(CCCn1ccnc1)Cc1cccn1C
InChIInChI=1S/C20H26N4O/c1-22-11-5-8-19(22)16-24(13-6-12-23-14-10-21-17-23)15-18-7-3-4-9-20(18)25-2/h3-5,7-11,14,17H,6,12-13,15-16H2,1-2H3
InChIKeyBPIBFSLOCMJVGV-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.32
Rot. Bonds9

About 3-imidazol-1-yl-N-[(2-methoxyphenyl)methyl]-N-[(1-methylpyrrol-2-yl)methyl]propan-1-amine

3-imidazol-1-yl-N-[(2-methoxyphenyl)methyl]-N-[(1-methylpyrrol-2-yl)methyl]propan-1-amine (PubChem CID 46962062) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-[(2-methoxyphenyl)methyl]-N-[(1-methylpyrrol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-imidazol-1-yl-N-[(2-methoxyphenyl)methyl]-N-[(1-methylpyrrol-2-yl)methyl]propan-1-amine
PubChem CID46962062
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name3-imidazol-1-yl-N-[(2-methoxyphenyl)methyl]-N-[(1-methylpyrrol-2-yl)methyl]propan-1-amine
SMILESCOc1ccccc1CN(CCCn1ccnc1)Cc1cccn1C
InChIInChI=1S/C20H26N4O/c1-22-11-5-8-19(22)16-24(13-6-12-23-14-10-21-17-23)15-18-7-3-4-9-20(18)25-2/h3-5,7-11,14,17H,6,12-13,15-16H2,1-2H3
InChIKeyBPIBFSLOCMJVGV-UHFFFAOYSA-N
XLogP3.32
TPSA35.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-imidazol-1-yl-N-[(2-methoxyphenyl)methyl]-N-[(1-methylpyrrol-2-yl)methyl]propan-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 3-imidazol-1-yl-N-[(2-methoxyphenyl)methyl]-N-[(1-methylpyrrol-2-yl)methyl]propan-1-amine?
The IUPAC name of 3-imidazol-1-yl-N-[(2-methoxyphenyl)methyl]-N-[(1-methylpyrrol-2-yl)methyl]propan-1-amine (CID 46962062) is 3-imidazol-1-yl-N-[(2-methoxyphenyl)methyl]-N-[(1-methylpyrrol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-imidazol-1-yl-N-[(2-methoxyphenyl)methyl]-N-[(1-methylpyrrol-2-yl)methyl]propan-1-amine?
The canonical SMILES for 3-imidazol-1-yl-N-[(2-methoxyphenyl)methyl]-N-[(1-methylpyrrol-2-yl)methyl]propan-1-amine is COc1ccccc1CN(CCCn1ccnc1)Cc1cccn1C.
What is the InChIKey of 3-imidazol-1-yl-N-[(2-methoxyphenyl)methyl]-N-[(1-methylpyrrol-2-yl)methyl]propan-1-amine?
The InChIKey is BPIBFSLOCMJVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-22-11-5-8-19(22)16-24(13-6-12-23-14-10-21-17-23)15-18-7-3-4-9-20(18)25-2/h3-5,7-11,14,17H,6,12-13,15-16H2,1-2H3.
What are the key properties of 3-imidazol-1-yl-N-[(2-methoxyphenyl)methyl]-N-[(1-methylpyrrol-2-yl)methyl]propan-1-amine?
3-imidazol-1-yl-N-[(2-methoxyphenyl)methyl]-N-[(1-methylpyrrol-2-yl)methyl]propan-1-amine has a molecular weight of 338.46 g/mol, XLogP of 3.32, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-N-[(2-methoxyphenyl)methyl]-N-[(1-methylpyrrol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 46962062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).