4-(oxan-3-yl)-2-phenylimidazole-1,5-diamine

C14H18N4O — CID 63737203

IUPAC4-(oxan-3-yl)-2-phenylimidazole-1,5-diamine
SMILESNc1c(C2CCCOC2)nc(-c2ccccc2)n1N
InChIInChI=1S/C14H18N4O/c15-13-12(11-7-4-8-19-9-11)17-14(18(13)16)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9,15-16H2
InChIKeyXEUFTTNQXLRLSO-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.74
Rot. Bonds2

About 4-(oxan-3-yl)-2-phenylimidazole-1,5-diamine

4-(oxan-3-yl)-2-phenylimidazole-1,5-diamine (PubChem CID 63737203) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-(oxan-3-yl)-2-phenylimidazole-1,5-diamine.

Molecular Properties

Compound Name4-(oxan-3-yl)-2-phenylimidazole-1,5-diamine
PubChem CID63737203
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name4-(oxan-3-yl)-2-phenylimidazole-1,5-diamine
SMILESNc1c(C2CCCOC2)nc(-c2ccccc2)n1N
InChIInChI=1S/C14H18N4O/c15-13-12(11-7-4-8-19-9-11)17-14(18(13)16)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9,15-16H2
InChIKeyXEUFTTNQXLRLSO-UHFFFAOYSA-N
XLogP1.74
TPSA79.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(oxan-3-yl)-2-propan-2-ylimidazole-1,5-diamine
CID 63737207
3-(oxan-3-yl)-4-phenyl-1,2-oxazol-5-amine
CID 63015258
6-bromo-8-methyl-2-(oxan-3-yl)imidazo[1,2-a]pyridin-3-amine
CID 83170571
3-methyl-5-(oxan-3-yl)-2-propylimidazol-4-amine
CID 63737711
2-cyclohexyl-3-ethyl-5-(oxan-3-yl)imidazol-4-amine
CID 63739138
4-(3-chlorophenyl)-3-(oxan-3-yl)-1,2-oxazol-5-amine
CID 55150697
5-(oxan-3-yl)-4-pyridin-3-yl-1H-pyrazol-3-amine
CID 80522931
2-cyclohexyl-5-(oxan-3-yl)-3-propylimidazol-4-amine
CID 63739139
5-methyl-2-(oxan-3-yl)imidazo[1,2-a]pyridine
CID 117131634
2-cyclohexyl-5-(oxan-3-yl)-3-prop-2-enylimidazol-4-amine
CID 63737028
2-tert-butyl-4-(oxan-3-yl)-1,3-thiazol-5-amine
CID 63739305
2-cyclohexyl-4-(oxan-4-yl)imidazole-1,5-diamine
CID 62506285

Frequently Asked Questions

What is the IUPAC name of 4-(oxan-3-yl)-2-phenylimidazole-1,5-diamine?
The IUPAC name of 4-(oxan-3-yl)-2-phenylimidazole-1,5-diamine (CID 63737203) is 4-(oxan-3-yl)-2-phenylimidazole-1,5-diamine.
What is the SMILES notation for 4-(oxan-3-yl)-2-phenylimidazole-1,5-diamine?
The canonical SMILES for 4-(oxan-3-yl)-2-phenylimidazole-1,5-diamine is Nc1c(C2CCCOC2)nc(-c2ccccc2)n1N.
What is the InChIKey of 4-(oxan-3-yl)-2-phenylimidazole-1,5-diamine?
The InChIKey is XEUFTTNQXLRLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c15-13-12(11-7-4-8-19-9-11)17-14(18(13)16)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9,15-16H2.
What are the key properties of 4-(oxan-3-yl)-2-phenylimidazole-1,5-diamine?
4-(oxan-3-yl)-2-phenylimidazole-1,5-diamine has a molecular weight of 258.32 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-3-yl)-2-phenylimidazole-1,5-diamine is sourced from PubChem (CID 63737203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).