1-methyl-4-[(5-methylimidazol-1-yl)methyl]imidazole

C9H12N4 — CID 146244591

IUPAC1-methyl-4-[(5-methylimidazol-1-yl)methyl]imidazole
SMILESCc1cncn1Cc1cn(C)cn1
InChIInChI=1S/C9H12N4/c1-8-3-10-6-13(8)5-9-4-12(2)7-11-9/h3-4,6-7H,5H2,1-2H3
InChIKeySWZZAPFJKVRTNR-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.97
Rot. Bonds2

About 1-methyl-4-[(5-methylimidazol-1-yl)methyl]imidazole

1-methyl-4-[(5-methylimidazol-1-yl)methyl]imidazole (PubChem CID 146244591) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 1-methyl-4-[(5-methylimidazol-1-yl)methyl]imidazole.

Molecular Properties

Compound Name1-methyl-4-[(5-methylimidazol-1-yl)methyl]imidazole
PubChem CID146244591
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name1-methyl-4-[(5-methylimidazol-1-yl)methyl]imidazole
SMILESCc1cncn1Cc1cn(C)cn1
InChIInChI=1S/C9H12N4/c1-8-3-10-6-13(8)5-9-4-12(2)7-11-9/h3-4,6-7H,5H2,1-2H3
InChIKeySWZZAPFJKVRTNR-UHFFFAOYSA-N
XLogP0.97
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,5-Dimethylimidazole
CID 139158
1,4-Dimethylimidazole
CID 138733
1-Methyl-3-[4-(5-methylimidazol-1-yl)but-2-ynyl]imidazolidin-2-one
CID 15065578
1-Methyl-5-aminomethylimidazole
CID 2795424
1-Butyl-5-methyl-1H-imidazole
CID 426631
1H-Imidazole, 1-butyl-4-methyl
CID 529330
1,1'-(Decane-1,10-diyl)bis(4-methyl-1H-imidazole)--hydrogen chloride (1/2)
CID 116266
(1-methyl-1H-imidazol-4-yl)methanamine
CID 2795114
methyl[(1-methyl-1H-imidazol-5-yl)methyl]amine
CID 7164555
1,2-Dimethyl-1H-imidazole-5-methanamine
CID 13062778
N,1-Dimethyl-1H-imidazole-4-methanamine
CID 21366440
(1-ethyl-1H-imidazol-5-yl)methanamine
CID 28063992

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(5-methylimidazol-1-yl)methyl]imidazole?
The IUPAC name of 1-methyl-4-[(5-methylimidazol-1-yl)methyl]imidazole (CID 146244591) is 1-methyl-4-[(5-methylimidazol-1-yl)methyl]imidazole.
What is the SMILES notation for 1-methyl-4-[(5-methylimidazol-1-yl)methyl]imidazole?
The canonical SMILES for 1-methyl-4-[(5-methylimidazol-1-yl)methyl]imidazole is Cc1cncn1Cc1cn(C)cn1.
What is the InChIKey of 1-methyl-4-[(5-methylimidazol-1-yl)methyl]imidazole?
The InChIKey is SWZZAPFJKVRTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-8-3-10-6-13(8)5-9-4-12(2)7-11-9/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 1-methyl-4-[(5-methylimidazol-1-yl)methyl]imidazole?
1-methyl-4-[(5-methylimidazol-1-yl)methyl]imidazole has a molecular weight of 176.22 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(5-methylimidazol-1-yl)methyl]imidazole is sourced from PubChem (CID 146244591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).