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

C14H23N5 — CID 66131524

IUPAC2-ethyl-3-propan-2-yl-5-(3-propan-2-ylimidazol-4-yl)imidazol-4-amine
SMILESCCc1nc(-c2cncn2C(C)C)c(N)n1C(C)C
InChIInChI=1S/C14H23N5/c1-6-12-17-13(14(15)19(12)10(4)5)11-7-16-8-18(11)9(2)3/h7-10H,6,15H2,1-5H3
InChIKeyBSMXHTCDONFEMY-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.05
Rot. Bonds4

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

2-ethyl-3-propan-2-yl-5-(3-propan-2-ylimidazol-4-yl)imidazol-4-amine (PubChem CID 66131524) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-ethyl-3-propan-2-yl-5-(3-propan-2-ylimidazol-4-yl)imidazol-4-amine.

Molecular Properties

Compound Name2-ethyl-3-propan-2-yl-5-(3-propan-2-ylimidazol-4-yl)imidazol-4-amine
PubChem CID66131524
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name2-ethyl-3-propan-2-yl-5-(3-propan-2-ylimidazol-4-yl)imidazol-4-amine
SMILESCCc1nc(-c2cncn2C(C)C)c(N)n1C(C)C
InChIInChI=1S/C14H23N5/c1-6-12-17-13(14(15)19(12)10(4)5)11-7-16-8-18(11)9(2)3/h7-10H,6,15H2,1-5H3
InChIKeyBSMXHTCDONFEMY-UHFFFAOYSA-N
XLogP3.05
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-propan-2-yl-5-(3-propan-2-ylimidazol-4-yl)imidazol-4-amine?
The IUPAC name of 2-ethyl-3-propan-2-yl-5-(3-propan-2-ylimidazol-4-yl)imidazol-4-amine (CID 66131524) is 2-ethyl-3-propan-2-yl-5-(3-propan-2-ylimidazol-4-yl)imidazol-4-amine.
What is the SMILES notation for 2-ethyl-3-propan-2-yl-5-(3-propan-2-ylimidazol-4-yl)imidazol-4-amine?
The canonical SMILES for 2-ethyl-3-propan-2-yl-5-(3-propan-2-ylimidazol-4-yl)imidazol-4-amine is CCc1nc(-c2cncn2C(C)C)c(N)n1C(C)C.
What is the InChIKey of 2-ethyl-3-propan-2-yl-5-(3-propan-2-ylimidazol-4-yl)imidazol-4-amine?
The InChIKey is BSMXHTCDONFEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-6-12-17-13(14(15)19(12)10(4)5)11-7-16-8-18(11)9(2)3/h7-10H,6,15H2,1-5H3.
What are the key properties of 2-ethyl-3-propan-2-yl-5-(3-propan-2-ylimidazol-4-yl)imidazol-4-amine?
2-ethyl-3-propan-2-yl-5-(3-propan-2-ylimidazol-4-yl)imidazol-4-amine has a molecular weight of 261.37 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-propan-2-yl-5-(3-propan-2-ylimidazol-4-yl)imidazol-4-amine is sourced from PubChem (CID 66131524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).