(3-hydroxypyrrolidin-1-yl)-(3-phenylimidazol-4-yl)methanone

C14H15N3O2 — CID 62916077

IUPAC(3-hydroxypyrrolidin-1-yl)-(3-phenylimidazol-4-yl)methanone
SMILESO=C(c1cncn1-c1ccccc1)N1CCC(O)C1
InChIInChI=1S/C14H15N3O2/c18-12-6-7-16(9-12)14(19)13-8-15-10-17(13)11-4-2-1-3-5-11/h1-5,8,10,12,18H,6-7,9H2
InChIKeyLNQOQDMIGMLPRL-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.08
Rot. Bonds2

About (3-hydroxypyrrolidin-1-yl)-(3-phenylimidazol-4-yl)methanone

(3-hydroxypyrrolidin-1-yl)-(3-phenylimidazol-4-yl)methanone (PubChem CID 62916077) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is (3-hydroxypyrrolidin-1-yl)-(3-phenylimidazol-4-yl)methanone.

Molecular Properties

Compound Name(3-hydroxypyrrolidin-1-yl)-(3-phenylimidazol-4-yl)methanone
PubChem CID62916077
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name(3-hydroxypyrrolidin-1-yl)-(3-phenylimidazol-4-yl)methanone
SMILESO=C(c1cncn1-c1ccccc1)N1CCC(O)C1
InChIInChI=1S/C14H15N3O2/c18-12-6-7-16(9-12)14(19)13-8-15-10-17(13)11-4-2-1-3-5-11/h1-5,8,10,12,18H,6-7,9H2
InChIKeyLNQOQDMIGMLPRL-UHFFFAOYSA-N
XLogP1.08
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxypyrrolidin-1-yl)-(3-phenylimidazol-4-yl)methanone?
The IUPAC name of (3-hydroxypyrrolidin-1-yl)-(3-phenylimidazol-4-yl)methanone (CID 62916077) is (3-hydroxypyrrolidin-1-yl)-(3-phenylimidazol-4-yl)methanone.
What is the SMILES notation for (3-hydroxypyrrolidin-1-yl)-(3-phenylimidazol-4-yl)methanone?
The canonical SMILES for (3-hydroxypyrrolidin-1-yl)-(3-phenylimidazol-4-yl)methanone is O=C(c1cncn1-c1ccccc1)N1CCC(O)C1.
What is the InChIKey of (3-hydroxypyrrolidin-1-yl)-(3-phenylimidazol-4-yl)methanone?
The InChIKey is LNQOQDMIGMLPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c18-12-6-7-16(9-12)14(19)13-8-15-10-17(13)11-4-2-1-3-5-11/h1-5,8,10,12,18H,6-7,9H2.
What are the key properties of (3-hydroxypyrrolidin-1-yl)-(3-phenylimidazol-4-yl)methanone?
(3-hydroxypyrrolidin-1-yl)-(3-phenylimidazol-4-yl)methanone has a molecular weight of 257.29 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxypyrrolidin-1-yl)-(3-phenylimidazol-4-yl)methanone is sourced from PubChem (CID 62916077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).