2-tert-butyl-4-(3-cyclopropylphenyl)imidazole-1,5-diamine

C16H22N4 — CID 79980757

IUPAC2-tert-butyl-4-(3-cyclopropylphenyl)imidazole-1,5-diamine
SMILESCC(C)(C)c1nc(-c2cccc(C3CC3)c2)c(N)n1N
InChIInChI=1S/C16H22N4/c1-16(2,3)15-19-13(14(17)20(15)18)12-6-4-5-11(9-12)10-7-8-10/h4-6,9-10H,7-8,17-18H2,1-3H3
InChIKeyCFKXNKVNSONSTF-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.02
Rot. Bonds2

About 2-tert-butyl-4-(3-cyclopropylphenyl)imidazole-1,5-diamine

2-tert-butyl-4-(3-cyclopropylphenyl)imidazole-1,5-diamine (PubChem CID 79980757) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-tert-butyl-4-(3-cyclopropylphenyl)imidazole-1,5-diamine.

Molecular Properties

Compound Name2-tert-butyl-4-(3-cyclopropylphenyl)imidazole-1,5-diamine
PubChem CID79980757
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name2-tert-butyl-4-(3-cyclopropylphenyl)imidazole-1,5-diamine
SMILESCC(C)(C)c1nc(-c2cccc(C3CC3)c2)c(N)n1N
InChIInChI=1S/C16H22N4/c1-16(2,3)15-19-13(14(17)20(15)18)12-6-4-5-11(9-12)10-7-8-10/h4-6,9-10H,7-8,17-18H2,1-3H3
InChIKeyCFKXNKVNSONSTF-UHFFFAOYSA-N
XLogP3.02
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(3-cyclopropylphenyl)imidazole-1,5-diamine?
The IUPAC name of 2-tert-butyl-4-(3-cyclopropylphenyl)imidazole-1,5-diamine (CID 79980757) is 2-tert-butyl-4-(3-cyclopropylphenyl)imidazole-1,5-diamine.
What is the SMILES notation for 2-tert-butyl-4-(3-cyclopropylphenyl)imidazole-1,5-diamine?
The canonical SMILES for 2-tert-butyl-4-(3-cyclopropylphenyl)imidazole-1,5-diamine is CC(C)(C)c1nc(-c2cccc(C3CC3)c2)c(N)n1N.
What is the InChIKey of 2-tert-butyl-4-(3-cyclopropylphenyl)imidazole-1,5-diamine?
The InChIKey is CFKXNKVNSONSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-16(2,3)15-19-13(14(17)20(15)18)12-6-4-5-11(9-12)10-7-8-10/h4-6,9-10H,7-8,17-18H2,1-3H3.
What are the key properties of 2-tert-butyl-4-(3-cyclopropylphenyl)imidazole-1,5-diamine?
2-tert-butyl-4-(3-cyclopropylphenyl)imidazole-1,5-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(3-cyclopropylphenyl)imidazole-1,5-diamine is sourced from PubChem (CID 79980757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).