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

C16H18N4 — CID 658311

IUPAC1-[[4-(imidazol-1-ylmethyl)-2,5-dimethylphenyl]methyl]imidazole
SMILESCc1cc(Cn2ccnc2)c(C)cc1Cn1ccnc1
InChIInChI=1S/C16H18N4/c1-13-7-16(10-20-6-4-18-12-20)14(2)8-15(13)9-19-5-3-17-11-19/h3-8,11-12H,9-10H2,1-2H3
InChIKeyNYAUDKLEAIYMOH-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.79
Rot. Bonds4

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

1-[[4-(imidazol-1-ylmethyl)-2,5-dimethylphenyl]methyl]imidazole (PubChem CID 658311) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 1-[[4-(imidazol-1-ylmethyl)-2,5-dimethylphenyl]methyl]imidazole.

Molecular Properties

Compound Name1-[[4-(imidazol-1-ylmethyl)-2,5-dimethylphenyl]methyl]imidazole
PubChem CID658311
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name1-[[4-(imidazol-1-ylmethyl)-2,5-dimethylphenyl]methyl]imidazole
SMILESCc1cc(Cn2ccnc2)c(C)cc1Cn1ccnc1
InChIInChI=1S/C16H18N4/c1-13-7-16(10-20-6-4-18-12-20)14(2)8-15(13)9-19-5-3-17-11-19/h3-8,11-12H,9-10H2,1-2H3
InChIKeyNYAUDKLEAIYMOH-UHFFFAOYSA-N
XLogP2.79
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(imidazol-1-ylmethyl)-2,5-dimethylphenyl]methyl]imidazole?
The IUPAC name of 1-[[4-(imidazol-1-ylmethyl)-2,5-dimethylphenyl]methyl]imidazole (CID 658311) is 1-[[4-(imidazol-1-ylmethyl)-2,5-dimethylphenyl]methyl]imidazole.
What is the SMILES notation for 1-[[4-(imidazol-1-ylmethyl)-2,5-dimethylphenyl]methyl]imidazole?
The canonical SMILES for 1-[[4-(imidazol-1-ylmethyl)-2,5-dimethylphenyl]methyl]imidazole is Cc1cc(Cn2ccnc2)c(C)cc1Cn1ccnc1.
What is the InChIKey of 1-[[4-(imidazol-1-ylmethyl)-2,5-dimethylphenyl]methyl]imidazole?
The InChIKey is NYAUDKLEAIYMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-13-7-16(10-20-6-4-18-12-20)14(2)8-15(13)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-dimethylphenyl]methyl]imidazole?
1-[[4-(imidazol-1-ylmethyl)-2,5-dimethylphenyl]methyl]imidazole has a molecular weight of 266.35 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(imidazol-1-ylmethyl)-2,5-dimethylphenyl]methyl]imidazole is sourced from PubChem (CID 658311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).