2-methyl-1-[(2-methyl-1H-imidazol-5-yl)methyl]imidazole

C9H12N4 — CID 170203339

IUPAC2-methyl-1-[(2-methyl-1H-imidazol-5-yl)methyl]imidazole
SMILESCc1ncc(Cn2ccnc2C)[nH]1
InChIInChI=1S/C9H12N4/c1-7-11-5-9(12-7)6-13-4-3-10-8(13)2/h3-5H,6H2,1-2H3,(H,11,12)
InChIKeyNLBDPMZISFFUAH-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.27
Rot. Bonds2

About 2-methyl-1-[(2-methyl-1H-imidazol-5-yl)methyl]imidazole

2-methyl-1-[(2-methyl-1H-imidazol-5-yl)methyl]imidazole (PubChem CID 170203339) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-methyl-1-[(2-methyl-1H-imidazol-5-yl)methyl]imidazole.

Molecular Properties

Compound Name2-methyl-1-[(2-methyl-1H-imidazol-5-yl)methyl]imidazole
PubChem CID170203339
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name2-methyl-1-[(2-methyl-1H-imidazol-5-yl)methyl]imidazole
SMILESCc1ncc(Cn2ccnc2C)[nH]1
InChIInChI=1S/C9H12N4/c1-7-11-5-9(12-7)6-13-4-3-10-8(13)2/h3-5H,6H2,1-2H3,(H,11,12)
InChIKeyNLBDPMZISFFUAH-UHFFFAOYSA-N
XLogP1.27
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2-methyl-1H-imidazol-5-yl)methyl]imidazole?
The IUPAC name of 2-methyl-1-[(2-methyl-1H-imidazol-5-yl)methyl]imidazole (CID 170203339) is 2-methyl-1-[(2-methyl-1H-imidazol-5-yl)methyl]imidazole.
What is the SMILES notation for 2-methyl-1-[(2-methyl-1H-imidazol-5-yl)methyl]imidazole?
The canonical SMILES for 2-methyl-1-[(2-methyl-1H-imidazol-5-yl)methyl]imidazole is Cc1ncc(Cn2ccnc2C)[nH]1.
What is the InChIKey of 2-methyl-1-[(2-methyl-1H-imidazol-5-yl)methyl]imidazole?
The InChIKey is NLBDPMZISFFUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-7-11-5-9(12-7)6-13-4-3-10-8(13)2/h3-5H,6H2,1-2H3,(H,11,12).
What are the key properties of 2-methyl-1-[(2-methyl-1H-imidazol-5-yl)methyl]imidazole?
2-methyl-1-[(2-methyl-1H-imidazol-5-yl)methyl]imidazole has a molecular weight of 176.22 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2-methyl-1H-imidazol-5-yl)methyl]imidazole is sourced from PubChem (CID 170203339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).