1-[(2R,3S)-2-ethyloxolan-3-yl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethyl)urea

C15H24N4O2 — CID 164636529

IUPAC1-[(2R,3S)-2-ethyloxolan-3-yl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethyl)urea
SMILESCC[C@H]1OCC[C@@H]1NC(=O)NCC1CCCn2ccnc21
InChIInChI=1S/C15H24N4O2/c1-2-13-12(5-9-21-13)18-15(20)17-10-11-4-3-7-19-8-6-16-14(11)19/h6,8,11-13H,2-5,7,9-10H2,1H3,(H2,17,18,20)/t11?,12-,13+/m0/s1
InChIKeyPHNSRSDQIBTEJO-LWNNLKQOSA-N
MW292.38 g/mol
LogP1.63
Rot. Bonds4

About 1-[(2R,3S)-2-ethyloxolan-3-yl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethyl)urea

1-[(2R,3S)-2-ethyloxolan-3-yl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethyl)urea (PubChem CID 164636529) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[(2R,3S)-2-ethyloxolan-3-yl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethyl)urea.

Molecular Properties

Compound Name1-[(2R,3S)-2-ethyloxolan-3-yl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethyl)urea
PubChem CID164636529
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name1-[(2R,3S)-2-ethyloxolan-3-yl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethyl)urea
SMILESCC[C@H]1OCC[C@@H]1NC(=O)NCC1CCCn2ccnc21
InChIInChI=1S/C15H24N4O2/c1-2-13-12(5-9-21-13)18-15(20)17-10-11-4-3-7-19-8-6-16-14(11)19/h6,8,11-13H,2-5,7,9-10H2,1H3,(H2,17,18,20)/t11?,12-,13+/m0/s1
InChIKeyPHNSRSDQIBTEJO-LWNNLKQOSA-N
XLogP1.63
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S)-2-ethyloxolan-3-yl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethyl)urea?
The IUPAC name of 1-[(2R,3S)-2-ethyloxolan-3-yl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethyl)urea (CID 164636529) is 1-[(2R,3S)-2-ethyloxolan-3-yl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethyl)urea.
What is the SMILES notation for 1-[(2R,3S)-2-ethyloxolan-3-yl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethyl)urea?
The canonical SMILES for 1-[(2R,3S)-2-ethyloxolan-3-yl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethyl)urea is CC[C@H]1OCC[C@@H]1NC(=O)NCC1CCCn2ccnc21.
What is the InChIKey of 1-[(2R,3S)-2-ethyloxolan-3-yl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethyl)urea?
The InChIKey is PHNSRSDQIBTEJO-LWNNLKQOSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-2-13-12(5-9-21-13)18-15(20)17-10-11-4-3-7-19-8-6-16-14(11)19/h6,8,11-13H,2-5,7,9-10H2,1H3,(H2,17,18,20)/t11?,12-,13+/m0/s1.
What are the key properties of 1-[(2R,3S)-2-ethyloxolan-3-yl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethyl)urea?
1-[(2R,3S)-2-ethyloxolan-3-yl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethyl)urea has a molecular weight of 292.38 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S)-2-ethyloxolan-3-yl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethyl)urea is sourced from PubChem (CID 164636529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).