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

C14H23N5 — CID 66119138

IUPAC3-tert-butyl-5-(3-methylimidazol-4-yl)-2-propan-2-ylimidazol-4-amine
SMILESCC(C)c1nc(-c2cncn2C)c(N)n1C(C)(C)C
InChIInChI=1S/C14H23N5/c1-9(2)13-17-11(10-7-16-8-18(10)6)12(15)19(13)14(3,4)5/h7-9H,15H2,1-6H3
InChIKeyWRNWDVKOYIXPSE-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.74
Rot. Bonds2

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

3-tert-butyl-5-(3-methylimidazol-4-yl)-2-propan-2-ylimidazol-4-amine (PubChem CID 66119138) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-tert-butyl-5-(3-methylimidazol-4-yl)-2-propan-2-ylimidazol-4-amine.

Molecular Properties

Compound Name3-tert-butyl-5-(3-methylimidazol-4-yl)-2-propan-2-ylimidazol-4-amine
PubChem CID66119138
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name3-tert-butyl-5-(3-methylimidazol-4-yl)-2-propan-2-ylimidazol-4-amine
SMILESCC(C)c1nc(-c2cncn2C)c(N)n1C(C)(C)C
InChIInChI=1S/C14H23N5/c1-9(2)13-17-11(10-7-16-8-18(10)6)12(15)19(13)14(3,4)5/h7-9H,15H2,1-6H3
InChIKeyWRNWDVKOYIXPSE-UHFFFAOYSA-N
XLogP2.74
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-(3-methylimidazol-4-yl)-2-propan-2-ylimidazol-4-amine?
The IUPAC name of 3-tert-butyl-5-(3-methylimidazol-4-yl)-2-propan-2-ylimidazol-4-amine (CID 66119138) is 3-tert-butyl-5-(3-methylimidazol-4-yl)-2-propan-2-ylimidazol-4-amine.
What is the SMILES notation for 3-tert-butyl-5-(3-methylimidazol-4-yl)-2-propan-2-ylimidazol-4-amine?
The canonical SMILES for 3-tert-butyl-5-(3-methylimidazol-4-yl)-2-propan-2-ylimidazol-4-amine is CC(C)c1nc(-c2cncn2C)c(N)n1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-5-(3-methylimidazol-4-yl)-2-propan-2-ylimidazol-4-amine?
The InChIKey is WRNWDVKOYIXPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-9(2)13-17-11(10-7-16-8-18(10)6)12(15)19(13)14(3,4)5/h7-9H,15H2,1-6H3.
What are the key properties of 3-tert-butyl-5-(3-methylimidazol-4-yl)-2-propan-2-ylimidazol-4-amine?
3-tert-butyl-5-(3-methylimidazol-4-yl)-2-propan-2-ylimidazol-4-amine has a molecular weight of 261.37 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-(3-methylimidazol-4-yl)-2-propan-2-ylimidazol-4-amine is sourced from PubChem (CID 66119138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).