1-[[4-(imidazol-1-ylmethyl)-2,5-dimethoxyphenyl]methyl]imidazole

C16H18N4O2 — CID 659236

IUPAC1-[[4-(imidazol-1-ylmethyl)-2,5-dimethoxyphenyl]methyl]imidazole
SMILESCOc1cc(Cn2ccnc2)c(OC)cc1Cn1ccnc1
InChIInChI=1S/C16H18N4O2/c1-21-15-7-14(10-20-6-4-18-12-20)16(22-2)8-13(15)9-19-5-3-17-11-19/h3-8,11-12H,9-10H2,1-2H3
InChIKeyMPVAGFFEYNOQJU-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.19
Rot. Bonds6

About 1-[[4-(imidazol-1-ylmethyl)-2,5-dimethoxyphenyl]methyl]imidazole

1-[[4-(imidazol-1-ylmethyl)-2,5-dimethoxyphenyl]methyl]imidazole (PubChem CID 659236) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 1-[[4-(imidazol-1-ylmethyl)-2,5-dimethoxyphenyl]methyl]imidazole.

Molecular Properties

Compound Name1-[[4-(imidazol-1-ylmethyl)-2,5-dimethoxyphenyl]methyl]imidazole
PubChem CID659236
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name1-[[4-(imidazol-1-ylmethyl)-2,5-dimethoxyphenyl]methyl]imidazole
SMILESCOc1cc(Cn2ccnc2)c(OC)cc1Cn1ccnc1
InChIInChI=1S/C16H18N4O2/c1-21-15-7-14(10-20-6-4-18-12-20)16(22-2)8-13(15)9-19-5-3-17-11-19/h3-8,11-12H,9-10H2,1-2H3
InChIKeyMPVAGFFEYNOQJU-UHFFFAOYSA-N
XLogP2.19
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[[4-(imidazol-1-ylmethyl)-2,5-dimethoxyphenyl]methyl]imidazole 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

Acrylic acid derivative, 10
CID 10271818
1-(2-phenoxybenzyl)-1H-imidazole
CID 46889432
2-(2-Biphenyl-4-yl-ethoxy)-4-imidazol-1-ylmethyl-benzonitrile
CID 20691443
2-(3-Fluoro-phenoxy)-4-imidazol-1-ylmethyl-benzonitrile
CID 21696968
4-Imidazol-1-ylmethyl-2-phenoxy-benzonitrile
CID 21697020
2-(3-Ethynyl-phenoxy)-4-imidazol-1-ylmethyl-benzonitrile
CID 21697037
4-Imidazol-1-ylmethyl-2-(4-methoxy-phenoxy)-benzonitrile
CID 21697040
2-(3-Cyano-phenoxy)-4-imidazol-1-ylmethyl-benzonitrile
CID 21697104
4-Imidazol-1-ylmethyl-2-(3-methoxy-phenoxy)-benzonitrile
CID 21697118
2-(3-tert-Butyl-phenoxy)-4-imidazol-1-ylmethyl-benzonitrile
CID 21697124
4-Imidazol-1-ylmethyl-2-(2-methoxy-phenoxy)-benzonitrile
CID 21697133
4-Imidazol-1-ylmethyl-2-phenethyloxy-benzonitrile
CID 44458273

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(imidazol-1-ylmethyl)-2,5-dimethoxyphenyl]methyl]imidazole?
The IUPAC name of 1-[[4-(imidazol-1-ylmethyl)-2,5-dimethoxyphenyl]methyl]imidazole (CID 659236) is 1-[[4-(imidazol-1-ylmethyl)-2,5-dimethoxyphenyl]methyl]imidazole.
What is the SMILES notation for 1-[[4-(imidazol-1-ylmethyl)-2,5-dimethoxyphenyl]methyl]imidazole?
The canonical SMILES for 1-[[4-(imidazol-1-ylmethyl)-2,5-dimethoxyphenyl]methyl]imidazole is COc1cc(Cn2ccnc2)c(OC)cc1Cn1ccnc1.
What is the InChIKey of 1-[[4-(imidazol-1-ylmethyl)-2,5-dimethoxyphenyl]methyl]imidazole?
The InChIKey is MPVAGFFEYNOQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-21-15-7-14(10-20-6-4-18-12-20)16(22-2)8-13(15)9-19-5-3-17-11-19/h3-8,11-12H,9-10H2,1-2H3.
What are the key properties of 1-[[4-(imidazol-1-ylmethyl)-2,5-dimethoxyphenyl]methyl]imidazole?
1-[[4-(imidazol-1-ylmethyl)-2,5-dimethoxyphenyl]methyl]imidazole has a molecular weight of 298.35 g/mol, XLogP of 2.19, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(imidazol-1-ylmethyl)-2,5-dimethoxyphenyl]methyl]imidazole is sourced from PubChem (CID 659236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).