1,3-bis[(4-methoxyphenyl)methyl]-2-(3-nitrophenyl)imidazolidine

C25H27N3O4 — CID 12062831

IUPAC1,3-bis[(4-methoxyphenyl)methyl]-2-(3-nitrophenyl)imidazolidine
SMILESCOc1ccc(CN2CCN(Cc3ccc(OC)cc3)C2c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C25H27N3O4/c1-31-23-10-6-19(7-11-23)17-26-14-15-27(18-20-8-12-24(32-2)13-9-20)25(26)21-4-3-5-22(16-21)28(29)30/h3-13,16,25H,14-15,17-18H2,1-2H3
InChIKeyRGPWGZPQPYGCNX-UHFFFAOYSA-N
MW433.51 g/mol
LogP4.63
Rot. Bonds8

About 1,3-bis[(4-methoxyphenyl)methyl]-2-(3-nitrophenyl)imidazolidine

1,3-bis[(4-methoxyphenyl)methyl]-2-(3-nitrophenyl)imidazolidine (PubChem CID 12062831) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is 1,3-bis[(4-methoxyphenyl)methyl]-2-(3-nitrophenyl)imidazolidine.

Molecular Properties

Compound Name1,3-bis[(4-methoxyphenyl)methyl]-2-(3-nitrophenyl)imidazolidine
PubChem CID12062831
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC Name1,3-bis[(4-methoxyphenyl)methyl]-2-(3-nitrophenyl)imidazolidine
SMILESCOc1ccc(CN2CCN(Cc3ccc(OC)cc3)C2c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C25H27N3O4/c1-31-23-10-6-19(7-11-23)17-26-14-15-27(18-20-8-12-24(32-2)13-9-20)25(26)21-4-3-5-22(16-21)28(29)30/h3-13,16,25H,14-15,17-18H2,1-2H3
InChIKeyRGPWGZPQPYGCNX-UHFFFAOYSA-N
XLogP4.63
TPSA68.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1,3-bis[(4-methoxyphenyl)methyl]-2-(3-nitrophenyl)imidazolidine 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 1,3-bis[(4-methoxyphenyl)methyl]-2-(3-nitrophenyl)imidazolidine?
The IUPAC name of 1,3-bis[(4-methoxyphenyl)methyl]-2-(3-nitrophenyl)imidazolidine (CID 12062831) is 1,3-bis[(4-methoxyphenyl)methyl]-2-(3-nitrophenyl)imidazolidine.
What is the SMILES notation for 1,3-bis[(4-methoxyphenyl)methyl]-2-(3-nitrophenyl)imidazolidine?
The canonical SMILES for 1,3-bis[(4-methoxyphenyl)methyl]-2-(3-nitrophenyl)imidazolidine is COc1ccc(CN2CCN(Cc3ccc(OC)cc3)C2c2cccc([N+](=O)[O-])c2)cc1.
What is the InChIKey of 1,3-bis[(4-methoxyphenyl)methyl]-2-(3-nitrophenyl)imidazolidine?
The InChIKey is RGPWGZPQPYGCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-31-23-10-6-19(7-11-23)17-26-14-15-27(18-20-8-12-24(32-2)13-9-20)25(26)21-4-3-5-22(16-21)28(29)30/h3-13,16,25H,14-15,17-18H2,1-2H3.
What are the key properties of 1,3-bis[(4-methoxyphenyl)methyl]-2-(3-nitrophenyl)imidazolidine?
1,3-bis[(4-methoxyphenyl)methyl]-2-(3-nitrophenyl)imidazolidine has a molecular weight of 433.51 g/mol, XLogP of 4.63, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(4-methoxyphenyl)methyl]-2-(3-nitrophenyl)imidazolidine is sourced from PubChem (CID 12062831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).