2-tert-butyl-5-(3-methylimidazol-4-yl)-3-prop-2-ynylimidazol-4-amine

C14H19N5 — CID 66118525

IUPAC2-tert-butyl-5-(3-methylimidazol-4-yl)-3-prop-2-ynylimidazol-4-amine
SMILESC#CCn1c(C(C)(C)C)nc(-c2cncn2C)c1N
InChIInChI=1S/C14H19N5/c1-6-7-19-12(15)11(10-8-16-9-18(10)5)17-13(19)14(2,3)4/h1,8-9H,7,15H2,2-5H3
InChIKeySAUOYVAIRIMOKX-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.80
Rot. Bonds2

About 2-tert-butyl-5-(3-methylimidazol-4-yl)-3-prop-2-ynylimidazol-4-amine

2-tert-butyl-5-(3-methylimidazol-4-yl)-3-prop-2-ynylimidazol-4-amine (PubChem CID 66118525) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-tert-butyl-5-(3-methylimidazol-4-yl)-3-prop-2-ynylimidazol-4-amine.

Molecular Properties

Compound Name2-tert-butyl-5-(3-methylimidazol-4-yl)-3-prop-2-ynylimidazol-4-amine
PubChem CID66118525
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name2-tert-butyl-5-(3-methylimidazol-4-yl)-3-prop-2-ynylimidazol-4-amine
SMILESC#CCn1c(C(C)(C)C)nc(-c2cncn2C)c1N
InChIInChI=1S/C14H19N5/c1-6-7-19-12(15)11(10-8-16-9-18(10)5)17-13(19)14(2,3)4/h1,8-9H,7,15H2,2-5H3
InChIKeySAUOYVAIRIMOKX-UHFFFAOYSA-N
XLogP1.80
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-tert-butyl-5-(3-methylimidazol-4-yl)-3-prop-2-ynylimidazol-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

Related Compounds

2-tert-butyl-5-phenyl-3-prop-2-ynylimidazol-4-amine
CID 62220774
2-tert-butyl-5-(2-fluorophenyl)-3-prop-2-ynylimidazol-4-amine
CID 62220785
2-tert-butyl-5-(2-methoxyphenyl)-3-prop-2-ynylimidazol-4-amine
CID 62218473
2-tert-butyl-5-(2-methylpropyl)-3-prop-2-ynylimidazol-4-amine
CID 62220767
5-(3-cyclopropylimidazol-4-yl)-2-ethyl-3-prop-2-ynylimidazol-4-amine
CID 66164696
3-tert-butyl-5-(3-methylimidazol-4-yl)-2-propan-2-ylimidazol-4-amine
CID 66119138
5-(3-cyclopropylimidazol-4-yl)-2-propyl-3-prop-2-ynylimidazol-4-amine
CID 66162116
3-tert-butyl-2-cyclopropyl-5-(3-methylimidazol-4-yl)imidazol-4-amine
CID 66116831
3-methyl-5-(3-methylimidazol-4-yl)-2-propan-2-ylimidazol-4-amine
CID 66118522
3-butyl-2-tert-butyl-5-(1-methylpyrazol-4-yl)imidazol-4-amine
CID 62220408
8-methyl-2-(3-methylimidazol-4-yl)imidazo[1,2-a]pyridin-3-amine
CID 66119372
2-methyl-5-phenyl-3-prop-2-ynylimidazol-4-amine
CID 53275789

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(3-methylimidazol-4-yl)-3-prop-2-ynylimidazol-4-amine?
The IUPAC name of 2-tert-butyl-5-(3-methylimidazol-4-yl)-3-prop-2-ynylimidazol-4-amine (CID 66118525) is 2-tert-butyl-5-(3-methylimidazol-4-yl)-3-prop-2-ynylimidazol-4-amine.
What is the SMILES notation for 2-tert-butyl-5-(3-methylimidazol-4-yl)-3-prop-2-ynylimidazol-4-amine?
The canonical SMILES for 2-tert-butyl-5-(3-methylimidazol-4-yl)-3-prop-2-ynylimidazol-4-amine is C#CCn1c(C(C)(C)C)nc(-c2cncn2C)c1N.
What is the InChIKey of 2-tert-butyl-5-(3-methylimidazol-4-yl)-3-prop-2-ynylimidazol-4-amine?
The InChIKey is SAUOYVAIRIMOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-6-7-19-12(15)11(10-8-16-9-18(10)5)17-13(19)14(2,3)4/h1,8-9H,7,15H2,2-5H3.
What are the key properties of 2-tert-butyl-5-(3-methylimidazol-4-yl)-3-prop-2-ynylimidazol-4-amine?
2-tert-butyl-5-(3-methylimidazol-4-yl)-3-prop-2-ynylimidazol-4-amine has a molecular weight of 257.34 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(3-methylimidazol-4-yl)-3-prop-2-ynylimidazol-4-amine is sourced from PubChem (CID 66118525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).