3-methyl-5-(3-methylimidazol-4-yl)-2-propan-2-ylimidazol-4-amine

C11H17N5 — CID 66118522

IUPAC3-methyl-5-(3-methylimidazol-4-yl)-2-propan-2-ylimidazol-4-amine
SMILESCC(C)c1nc(-c2cncn2C)c(N)n1C
InChIInChI=1S/C11H17N5/c1-7(2)11-14-9(10(12)16(11)4)8-5-13-6-15(8)3/h5-7H,12H2,1-4H3
InChIKeyAJZSPADKRSADEW-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.53
Rot. Bonds2

About 3-methyl-5-(3-methylimidazol-4-yl)-2-propan-2-ylimidazol-4-amine

3-methyl-5-(3-methylimidazol-4-yl)-2-propan-2-ylimidazol-4-amine (PubChem CID 66118522) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 3-methyl-5-(3-methylimidazol-4-yl)-2-propan-2-ylimidazol-4-amine.

Molecular Properties

Compound Name3-methyl-5-(3-methylimidazol-4-yl)-2-propan-2-ylimidazol-4-amine
PubChem CID66118522
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name3-methyl-5-(3-methylimidazol-4-yl)-2-propan-2-ylimidazol-4-amine
SMILESCC(C)c1nc(-c2cncn2C)c(N)n1C
InChIInChI=1S/C11H17N5/c1-7(2)11-14-9(10(12)16(11)4)8-5-13-6-15(8)3/h5-7H,12H2,1-4H3
InChIKeyAJZSPADKRSADEW-UHFFFAOYSA-N
XLogP1.53
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-5-(3-methylimidazol-4-yl)-2-propan-2-ylimidazol-4-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 3-methyl-5-(3-methylimidazol-4-yl)-2-propan-2-ylimidazol-4-amine?
The IUPAC name of 3-methyl-5-(3-methylimidazol-4-yl)-2-propan-2-ylimidazol-4-amine (CID 66118522) is 3-methyl-5-(3-methylimidazol-4-yl)-2-propan-2-ylimidazol-4-amine.
What is the SMILES notation for 3-methyl-5-(3-methylimidazol-4-yl)-2-propan-2-ylimidazol-4-amine?
The canonical SMILES for 3-methyl-5-(3-methylimidazol-4-yl)-2-propan-2-ylimidazol-4-amine is CC(C)c1nc(-c2cncn2C)c(N)n1C.
What is the InChIKey of 3-methyl-5-(3-methylimidazol-4-yl)-2-propan-2-ylimidazol-4-amine?
The InChIKey is AJZSPADKRSADEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-7(2)11-14-9(10(12)16(11)4)8-5-13-6-15(8)3/h5-7H,12H2,1-4H3.
What are the key properties of 3-methyl-5-(3-methylimidazol-4-yl)-2-propan-2-ylimidazol-4-amine?
3-methyl-5-(3-methylimidazol-4-yl)-2-propan-2-ylimidazol-4-amine has a molecular weight of 219.29 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(3-methylimidazol-4-yl)-2-propan-2-ylimidazol-4-amine is sourced from PubChem (CID 66118522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).