ethane;5-methyl-5-phenylimidazole-2,4-diamine

C16H30N4 — CID 91607627

IUPACethane;5-methyl-5-phenylimidazole-2,4-diamine
SMILESCC.CC.CC.CC1(c2ccccc2)N=C(N)N=C1N
InChIInChI=1S/C10H12N4.3C2H6/c1-10(7-5-3-2-4-6-7)8(11)13-9(12)14-10;3*1-2/h2-6H,1H3,(H4,11,12,13,14);3*1-2H3
InChIKeyHWZDZBZIQJQJPT-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.67
Rot. Bonds1

About ethane;5-methyl-5-phenylimidazole-2,4-diamine

ethane;5-methyl-5-phenylimidazole-2,4-diamine (PubChem CID 91607627) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is ethane;5-methyl-5-phenylimidazole-2,4-diamine.

Molecular Properties

Compound Nameethane;5-methyl-5-phenylimidazole-2,4-diamine
PubChem CID91607627
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Nameethane;5-methyl-5-phenylimidazole-2,4-diamine
SMILESCC.CC.CC.CC1(c2ccccc2)N=C(N)N=C1N
InChIInChI=1S/C10H12N4.3C2H6/c1-10(7-5-3-2-4-6-7)8(11)13-9(12)14-10;3*1-2/h2-6H,1H3,(H4,11,12,13,14);3*1-2H3
InChIKeyHWZDZBZIQJQJPT-UHFFFAOYSA-N
XLogP3.67
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2,3-diphenylazirine
CID 13307627
4-methyl-2,4,5-triphenylimidazole
CID 143115267
2-(2-aminophenyl)-4-methyl-4-phenyl-1H-imidazol-5-one
CID 139822658
(3S)-2-amino-3-phenylindol-3-ol
CID 129405723
4-methyl-4-phenyl-2-(sulfanylmethyl)-1H-imidazol-5-one
CID 140999822
3-phenyl-3-(trideuteriomethyl)diazirine
CID 131846032
3,6-dimethyl-3,6-diphenylcyclohexa-1,4-diene
CID 618605
2-amino-5-(4-hydroxyphenyl)-3-methyl-5-phenylimidazol-4-one
CID 70867323
4-methyl-4-phenyl-5,6-dihydro-1,3-oxazin-2-amine;hydrochloride
CID 169431991
ethane;3-fluoro-3-phenylcyclobutan-1-amine
CID 178166277
(2S)-2-fluoro-2-phenylcyclopropan-1-amine
CID 155890824
(1-methyl-2,2-diphenylcyclopropyl)benzene
CID 14338185

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-5-phenylimidazole-2,4-diamine?
The IUPAC name of ethane;5-methyl-5-phenylimidazole-2,4-diamine (CID 91607627) is ethane;5-methyl-5-phenylimidazole-2,4-diamine.
What is the SMILES notation for ethane;5-methyl-5-phenylimidazole-2,4-diamine?
The canonical SMILES for ethane;5-methyl-5-phenylimidazole-2,4-diamine is CC.CC.CC.CC1(c2ccccc2)N=C(N)N=C1N.
What is the InChIKey of ethane;5-methyl-5-phenylimidazole-2,4-diamine?
The InChIKey is HWZDZBZIQJQJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4.3C2H6/c1-10(7-5-3-2-4-6-7)8(11)13-9(12)14-10;3*1-2/h2-6H,1H3,(H4,11,12,13,14);3*1-2H3.
What are the key properties of ethane;5-methyl-5-phenylimidazole-2,4-diamine?
ethane;5-methyl-5-phenylimidazole-2,4-diamine has a molecular weight of 278.44 g/mol, XLogP of 3.67, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-5-phenylimidazole-2,4-diamine is sourced from PubChem (CID 91607627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).