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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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).