1-methyl-5-(3-methylimidazol-4-yl)-4,5-dihydroimidazol-2-amine

C8H13N5 — CID 79509922

IUPAC1-methyl-5-(3-methylimidazol-4-yl)-4,5-dihydroimidazol-2-amine
SMILESCN1C(N)=NCC1c1cncn1C
InChIInChI=1S/C8H13N5/c1-12-5-10-3-6(12)7-4-11-8(9)13(7)2/h3,5,7H,4H2,1-2H3,(H2,9,11)
InChIKeyLZAXYWNKQDPUMB-UHFFFAOYSA-N
MW179.23 g/mol
LogP-0.28
Rot. Bonds1

About 1-methyl-5-(3-methylimidazol-4-yl)-4,5-dihydroimidazol-2-amine

1-methyl-5-(3-methylimidazol-4-yl)-4,5-dihydroimidazol-2-amine (PubChem CID 79509922) has the molecular formula C8H13N5 and a molecular weight of 179.23 g/mol. Its IUPAC name is 1-methyl-5-(3-methylimidazol-4-yl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-methyl-5-(3-methylimidazol-4-yl)-4,5-dihydroimidazol-2-amine
PubChem CID79509922
Molecular FormulaC8H13N5
Molecular Weight179.23 g/mol
Exact Mass179.12
IUPAC Name1-methyl-5-(3-methylimidazol-4-yl)-4,5-dihydroimidazol-2-amine
SMILESCN1C(N)=NCC1c1cncn1C
InChIInChI=1S/C8H13N5/c1-12-5-10-3-6(12)7-4-11-8(9)13(7)2/h3,5,7H,4H2,1-2H3,(H2,9,11)
InChIKeyLZAXYWNKQDPUMB-UHFFFAOYSA-N
XLogP-0.28
TPSA59.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.23
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methyl-5-(3-methylimidazol-4-yl)-4,5-dihydroimidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(3-methylimidazol-4-yl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-methyl-5-(3-methylimidazol-4-yl)-4,5-dihydroimidazol-2-amine (CID 79509922) is 1-methyl-5-(3-methylimidazol-4-yl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-methyl-5-(3-methylimidazol-4-yl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-methyl-5-(3-methylimidazol-4-yl)-4,5-dihydroimidazol-2-amine is CN1C(N)=NCC1c1cncn1C.
What is the InChIKey of 1-methyl-5-(3-methylimidazol-4-yl)-4,5-dihydroimidazol-2-amine?
The InChIKey is LZAXYWNKQDPUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5/c1-12-5-10-3-6(12)7-4-11-8(9)13(7)2/h3,5,7H,4H2,1-2H3,(H2,9,11).
What are the key properties of 1-methyl-5-(3-methylimidazol-4-yl)-4,5-dihydroimidazol-2-amine?
1-methyl-5-(3-methylimidazol-4-yl)-4,5-dihydroimidazol-2-amine has a molecular weight of 179.23 g/mol, XLogP of -0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(3-methylimidazol-4-yl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79509922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).