1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-amine

C14H17N3O — CID 649754

IUPAC1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-amine
SMILESNc1ncc(-c2ccccc2)n1CC1CCCO1
InChIInChI=1S/C14H17N3O/c15-14-16-9-13(11-5-2-1-3-6-11)17(14)10-12-7-4-8-18-12/h1-3,5-6,9,12H,4,7-8,10H2,(H2,15,16)
InChIKeyNPNLOCUVZQPZPT-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.31
Rot. Bonds3

About 1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-amine

1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-amine (PubChem CID 649754) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-amine.

Molecular Properties

Compound Name1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-amine
PubChem CID649754
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-amine
SMILESNc1ncc(-c2ccccc2)n1CC1CCCO1
InChIInChI=1S/C14H17N3O/c15-14-16-9-13(11-5-2-1-3-6-11)17(14)10-12-7-4-8-18-12/h1-3,5-6,9,12H,4,7-8,10H2,(H2,15,16)
InChIKeyNPNLOCUVZQPZPT-UHFFFAOYSA-N
XLogP2.31
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-amine?
The IUPAC name of 1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-amine (CID 649754) is 1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-amine.
What is the SMILES notation for 1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-amine?
The canonical SMILES for 1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-amine is Nc1ncc(-c2ccccc2)n1CC1CCCO1.
What is the InChIKey of 1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-amine?
The InChIKey is NPNLOCUVZQPZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c15-14-16-9-13(11-5-2-1-3-6-11)17(14)10-12-7-4-8-18-12/h1-3,5-6,9,12H,4,7-8,10H2,(H2,15,16).
What are the key properties of 1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-amine?
1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-amine has a molecular weight of 243.31 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-amine is sourced from PubChem (CID 649754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).