1-methyl-3-[4-(3-methyl-2H-imidazol-1-yl)phenyl]-2H-imidazole

C14H18N4 — CID 102428544

IUPAC1-methyl-3-[4-(3-methyl-2H-imidazol-1-yl)phenyl]-2H-imidazole
SMILESCN1C=CN(c2ccc(N3C=CN(C)C3)cc2)C1
InChIInChI=1S/C14H18N4/c1-15-7-9-17(11-15)13-3-5-14(6-4-13)18-10-8-16(2)12-18/h3-10H,11-12H2,1-2H3
InChIKeyMKIFPTSNZBVZEK-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.05
Rot. Bonds2

About 1-methyl-3-[4-(3-methyl-2H-imidazol-1-yl)phenyl]-2H-imidazole

1-methyl-3-[4-(3-methyl-2H-imidazol-1-yl)phenyl]-2H-imidazole (PubChem CID 102428544) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 1-methyl-3-[4-(3-methyl-2H-imidazol-1-yl)phenyl]-2H-imidazole.

Molecular Properties

Compound Name1-methyl-3-[4-(3-methyl-2H-imidazol-1-yl)phenyl]-2H-imidazole
PubChem CID102428544
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name1-methyl-3-[4-(3-methyl-2H-imidazol-1-yl)phenyl]-2H-imidazole
SMILESCN1C=CN(c2ccc(N3C=CN(C)C3)cc2)C1
InChIInChI=1S/C14H18N4/c1-15-7-9-17(11-15)13-3-5-14(6-4-13)18-10-8-16(2)12-18/h3-10H,11-12H2,1-2H3
InChIKeyMKIFPTSNZBVZEK-UHFFFAOYSA-N
XLogP2.05
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-methyl-2H-imidazol-1-yl)phenyl]methanamine
CID 71122963
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5-(3-methyl-2H-imidazol-1-yl)benzene-1,3-diol
CID 174876885
2-methyl-5-(3-methyl-2H-imidazol-1-yl)pyrimidine
CID 140820604
1-methyl-3-(4-methylphenyl)-2H-imidazole;quinoline
CID 174807258
1-(9,9-dimethylfluoren-2-yl)-3-methyl-2H-imidazole
CID 59348265
1,3-bis(4-methoxyphenyl)-2H-imidazole
CID 151621895
carbanide;iridium;1-methyl-3-[3-(3-methyl-2H-imidazol-1-yl)benzene-2-id-1-yl]-2H-imidazole
CID 140803197
2-(3-methyl-2H-imidazol-1-yl)-11-[3-(3-methyl-2H-imidazol-1-yl)phenyl]-5,6-dihydrobenzo[b][1]benzazepine
CID 140683337
2-(3-methyl-2H-imidazol-1-yl)-9-[4-methyl-3-(3-methyl-2H-imidazol-1-yl)-5-[3-(trideuteriomethyl)-2H-imidazol-1-yl]phenyl]-7-[3-(trideuteriomethyl)-2H-imidazol-1-yl]carbazole
CID 158431183
carbanide;iridium;1-(4-isocyanobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;1-(4-isocyanophenyl)-3-methyl-2H-imidazole
CID 162302261
1-(4-fluorophenyl)-3-phenyl-2H-imidazole
CID 59404000

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-(3-methyl-2H-imidazol-1-yl)phenyl]-2H-imidazole?
The IUPAC name of 1-methyl-3-[4-(3-methyl-2H-imidazol-1-yl)phenyl]-2H-imidazole (CID 102428544) is 1-methyl-3-[4-(3-methyl-2H-imidazol-1-yl)phenyl]-2H-imidazole.
What is the SMILES notation for 1-methyl-3-[4-(3-methyl-2H-imidazol-1-yl)phenyl]-2H-imidazole?
The canonical SMILES for 1-methyl-3-[4-(3-methyl-2H-imidazol-1-yl)phenyl]-2H-imidazole is CN1C=CN(c2ccc(N3C=CN(C)C3)cc2)C1.
What is the InChIKey of 1-methyl-3-[4-(3-methyl-2H-imidazol-1-yl)phenyl]-2H-imidazole?
The InChIKey is MKIFPTSNZBVZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-15-7-9-17(11-15)13-3-5-14(6-4-13)18-10-8-16(2)12-18/h3-10H,11-12H2,1-2H3.
What are the key properties of 1-methyl-3-[4-(3-methyl-2H-imidazol-1-yl)phenyl]-2H-imidazole?
1-methyl-3-[4-(3-methyl-2H-imidazol-1-yl)phenyl]-2H-imidazole has a molecular weight of 242.33 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-(3-methyl-2H-imidazol-1-yl)phenyl]-2H-imidazole is sourced from PubChem (CID 102428544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).