4-(2,3-dimethylphenyl)-2-propan-2-ylimidazole-1,5-diamine

C14H20N4 — CID 62508601

IUPAC4-(2,3-dimethylphenyl)-2-propan-2-ylimidazole-1,5-diamine
SMILESCc1cccc(-c2nc(C(C)C)n(N)c2N)c1C
InChIInChI=1S/C14H20N4/c1-8(2)14-17-12(13(15)18(14)16)11-7-5-6-9(3)10(11)4/h5-8H,15-16H2,1-4H3
InChIKeyYQTSJIVKZDMGAA-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.59
Rot. Bonds2

About 4-(2,3-dimethylphenyl)-2-propan-2-ylimidazole-1,5-diamine

4-(2,3-dimethylphenyl)-2-propan-2-ylimidazole-1,5-diamine (PubChem CID 62508601) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-(2,3-dimethylphenyl)-2-propan-2-ylimidazole-1,5-diamine.

Molecular Properties

Compound Name4-(2,3-dimethylphenyl)-2-propan-2-ylimidazole-1,5-diamine
PubChem CID62508601
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name4-(2,3-dimethylphenyl)-2-propan-2-ylimidazole-1,5-diamine
SMILESCc1cccc(-c2nc(C(C)C)n(N)c2N)c1C
InChIInChI=1S/C14H20N4/c1-8(2)14-17-12(13(15)18(14)16)11-7-5-6-9(3)10(11)4/h5-8H,15-16H2,1-4H3
InChIKeyYQTSJIVKZDMGAA-UHFFFAOYSA-N
XLogP2.59
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylphenyl)-2-propan-2-ylimidazole-1,5-diamine?
The IUPAC name of 4-(2,3-dimethylphenyl)-2-propan-2-ylimidazole-1,5-diamine (CID 62508601) is 4-(2,3-dimethylphenyl)-2-propan-2-ylimidazole-1,5-diamine.
What is the SMILES notation for 4-(2,3-dimethylphenyl)-2-propan-2-ylimidazole-1,5-diamine?
The canonical SMILES for 4-(2,3-dimethylphenyl)-2-propan-2-ylimidazole-1,5-diamine is Cc1cccc(-c2nc(C(C)C)n(N)c2N)c1C.
What is the InChIKey of 4-(2,3-dimethylphenyl)-2-propan-2-ylimidazole-1,5-diamine?
The InChIKey is YQTSJIVKZDMGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-8(2)14-17-12(13(15)18(14)16)11-7-5-6-9(3)10(11)4/h5-8H,15-16H2,1-4H3.
What are the key properties of 4-(2,3-dimethylphenyl)-2-propan-2-ylimidazole-1,5-diamine?
4-(2,3-dimethylphenyl)-2-propan-2-ylimidazole-1,5-diamine has a molecular weight of 244.34 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylphenyl)-2-propan-2-ylimidazole-1,5-diamine is sourced from PubChem (CID 62508601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).