1-(1H-imidazol-2-ylmethyl)-5-(4-methoxy-2,5-dimethylphenyl)-4-phenylimidazole

C22H22N4O — CID 50976568

IUPAC1-(1H-imidazol-2-ylmethyl)-5-(4-methoxy-2,5-dimethylphenyl)-4-phenylimidazole
SMILESCOc1cc(C)c(-c2c(-c3ccccc3)ncn2Cc2ncc[nH]2)cc1C
InChIInChI=1S/C22H22N4O/c1-15-12-19(27-3)16(2)11-18(15)22-21(17-7-5-4-6-8-17)25-14-26(22)13-20-23-9-10-24-20/h4-12,14H,13H2,1-3H3,(H,23,24)
InChIKeyDARVTTSFROPJBV-UHFFFAOYSA-N
MW358.45 g/mol
LogP4.61
Rot. Bonds5

About 1-(1H-imidazol-2-ylmethyl)-5-(4-methoxy-2,5-dimethylphenyl)-4-phenylimidazole

1-(1H-imidazol-2-ylmethyl)-5-(4-methoxy-2,5-dimethylphenyl)-4-phenylimidazole (PubChem CID 50976568) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is 1-(1H-imidazol-2-ylmethyl)-5-(4-methoxy-2,5-dimethylphenyl)-4-phenylimidazole.

Molecular Properties

Compound Name1-(1H-imidazol-2-ylmethyl)-5-(4-methoxy-2,5-dimethylphenyl)-4-phenylimidazole
PubChem CID50976568
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name1-(1H-imidazol-2-ylmethyl)-5-(4-methoxy-2,5-dimethylphenyl)-4-phenylimidazole
SMILESCOc1cc(C)c(-c2c(-c3ccccc3)ncn2Cc2ncc[nH]2)cc1C
InChIInChI=1S/C22H22N4O/c1-15-12-19(27-3)16(2)11-18(15)22-21(17-7-5-4-6-8-17)25-14-26(22)13-20-23-9-10-24-20/h4-12,14H,13H2,1-3H3,(H,23,24)
InChIKeyDARVTTSFROPJBV-UHFFFAOYSA-N
XLogP4.61
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1H-imidazol-2-ylmethyl)-5-(4-methoxy-2,5-dimethylphenyl)-4-phenylimidazole 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-(1H-imidazol-2-ylmethyl)-5-(4-methoxy-2,5-dimethylphenyl)-4-phenylimidazole?
The IUPAC name of 1-(1H-imidazol-2-ylmethyl)-5-(4-methoxy-2,5-dimethylphenyl)-4-phenylimidazole (CID 50976568) is 1-(1H-imidazol-2-ylmethyl)-5-(4-methoxy-2,5-dimethylphenyl)-4-phenylimidazole.
What is the SMILES notation for 1-(1H-imidazol-2-ylmethyl)-5-(4-methoxy-2,5-dimethylphenyl)-4-phenylimidazole?
The canonical SMILES for 1-(1H-imidazol-2-ylmethyl)-5-(4-methoxy-2,5-dimethylphenyl)-4-phenylimidazole is COc1cc(C)c(-c2c(-c3ccccc3)ncn2Cc2ncc[nH]2)cc1C.
What is the InChIKey of 1-(1H-imidazol-2-ylmethyl)-5-(4-methoxy-2,5-dimethylphenyl)-4-phenylimidazole?
The InChIKey is DARVTTSFROPJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-15-12-19(27-3)16(2)11-18(15)22-21(17-7-5-4-6-8-17)25-14-26(22)13-20-23-9-10-24-20/h4-12,14H,13H2,1-3H3,(H,23,24).
What are the key properties of 1-(1H-imidazol-2-ylmethyl)-5-(4-methoxy-2,5-dimethylphenyl)-4-phenylimidazole?
1-(1H-imidazol-2-ylmethyl)-5-(4-methoxy-2,5-dimethylphenyl)-4-phenylimidazole has a molecular weight of 358.45 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-ylmethyl)-5-(4-methoxy-2,5-dimethylphenyl)-4-phenylimidazole is sourced from PubChem (CID 50976568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).