5-(4-tert-butylphenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine

C16H25N3 — CID 79509998

IUPAC5-(4-tert-butylphenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine
SMILESCC(C)N1C(N)=NCC1c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H25N3/c1-11(2)19-14(10-18-15(19)17)12-6-8-13(9-7-12)16(3,4)5/h6-9,11,14H,10H2,1-5H3,(H2,17,18)
InChIKeyKOOGZNIXZHFNEB-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.06
Rot. Bonds2

About 5-(4-tert-butylphenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine

5-(4-tert-butylphenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine (PubChem CID 79509998) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine
PubChem CID79509998
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name5-(4-tert-butylphenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine
SMILESCC(C)N1C(N)=NCC1c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H25N3/c1-11(2)19-14(10-18-15(19)17)12-6-8-13(9-7-12)16(3,4)5/h6-9,11,14H,10H2,1-5H3,(H2,17,18)
InChIKeyKOOGZNIXZHFNEB-UHFFFAOYSA-N
XLogP3.06
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-methylphenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine
CID 79509112
5-(2,6-difluorophenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine
CID 79509555
5-(1-ethylpyrazol-4-yl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine
CID 103571071
1-propan-2-yl-5-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-amine
CID 79510443
1-propyl-5-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-amine
CID 79509521
1-cyclopropyl-5-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-amine
CID 79509319
5-(4-fluorophenyl)-1-methyl-4,5-dihydroimidazol-2-amine
CID 79510699
1-phenyl-5-(4-propan-2-ylphenyl)-4,5-dihydroimidazol-2-amine
CID 79501059
1-methyl-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydroimidazol-2-amine
CID 79509586
4-(4-tert-butylphenyl)-1-propan-2-ylpiperidine
CID 69030309
5-(4-tert-butylphenyl)-4-imino-1-propan-2-ylimidazolidin-2-one
CID 138389941
1-butan-2-yl-5-(5-methylthiophen-2-yl)-4,5-dihydroimidazol-2-amine
CID 79514595

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(4-tert-butylphenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine (CID 79509998) is 5-(4-tert-butylphenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(4-tert-butylphenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(4-tert-butylphenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine is CC(C)N1C(N)=NCC1c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 5-(4-tert-butylphenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine?
The InChIKey is KOOGZNIXZHFNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-11(2)19-14(10-18-15(19)17)12-6-8-13(9-7-12)16(3,4)5/h6-9,11,14H,10H2,1-5H3,(H2,17,18).
What are the key properties of 5-(4-tert-butylphenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine?
5-(4-tert-butylphenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine has a molecular weight of 259.40 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79509998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).