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

C12H19N5 — CID 66131321

IUPAC3-ethyl-2-methyl-5-(3-propan-2-ylimidazol-4-yl)imidazol-4-amine
SMILESCCn1c(C)nc(-c2cncn2C(C)C)c1N
InChIInChI=1S/C12H19N5/c1-5-16-9(4)15-11(12(16)13)10-6-14-7-17(10)8(2)3/h6-8H,5,13H2,1-4H3
InChIKeyUBKWPCZYRRXWIE-UHFFFAOYSA-N
MW233.32 g/mol
LogP2.24
Rot. Bonds3

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

3-ethyl-2-methyl-5-(3-propan-2-ylimidazol-4-yl)imidazol-4-amine (PubChem CID 66131321) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 3-ethyl-2-methyl-5-(3-propan-2-ylimidazol-4-yl)imidazol-4-amine.

Molecular Properties

Compound Name3-ethyl-2-methyl-5-(3-propan-2-ylimidazol-4-yl)imidazol-4-amine
PubChem CID66131321
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name3-ethyl-2-methyl-5-(3-propan-2-ylimidazol-4-yl)imidazol-4-amine
SMILESCCn1c(C)nc(-c2cncn2C(C)C)c1N
InChIInChI=1S/C12H19N5/c1-5-16-9(4)15-11(12(16)13)10-6-14-7-17(10)8(2)3/h6-8H,5,13H2,1-4H3
InChIKeyUBKWPCZYRRXWIE-UHFFFAOYSA-N
XLogP2.24
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyl-5-(3-propan-2-ylimidazol-4-yl)imidazol-4-amine?
The IUPAC name of 3-ethyl-2-methyl-5-(3-propan-2-ylimidazol-4-yl)imidazol-4-amine (CID 66131321) is 3-ethyl-2-methyl-5-(3-propan-2-ylimidazol-4-yl)imidazol-4-amine.
What is the SMILES notation for 3-ethyl-2-methyl-5-(3-propan-2-ylimidazol-4-yl)imidazol-4-amine?
The canonical SMILES for 3-ethyl-2-methyl-5-(3-propan-2-ylimidazol-4-yl)imidazol-4-amine is CCn1c(C)nc(-c2cncn2C(C)C)c1N.
What is the InChIKey of 3-ethyl-2-methyl-5-(3-propan-2-ylimidazol-4-yl)imidazol-4-amine?
The InChIKey is UBKWPCZYRRXWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-5-16-9(4)15-11(12(16)13)10-6-14-7-17(10)8(2)3/h6-8H,5,13H2,1-4H3.
What are the key properties of 3-ethyl-2-methyl-5-(3-propan-2-ylimidazol-4-yl)imidazol-4-amine?
3-ethyl-2-methyl-5-(3-propan-2-ylimidazol-4-yl)imidazol-4-amine has a molecular weight of 233.32 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyl-5-(3-propan-2-ylimidazol-4-yl)imidazol-4-amine is sourced from PubChem (CID 66131321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).