1-ethyl-3-[3-(7-methylimidazo[1,2-a]pyridin-3-yl)phenyl]urea

C17H18N4O — CID 59320921

IUPAC1-ethyl-3-[3-(7-methylimidazo[1,2-a]pyridin-3-yl)phenyl]urea
SMILESCCNC(=O)Nc1cccc(-c2cnc3cc(C)ccn23)c1
InChIInChI=1S/C17H18N4O/c1-3-18-17(22)20-14-6-4-5-13(10-14)15-11-19-16-9-12(2)7-8-21(15)16/h4-11H,3H2,1-2H3,(H2,18,20,22)
InChIKeyPBNFRIXEJDKMNN-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.45
Rot. Bonds3

About 1-ethyl-3-[3-(7-methylimidazo[1,2-a]pyridin-3-yl)phenyl]urea

1-ethyl-3-[3-(7-methylimidazo[1,2-a]pyridin-3-yl)phenyl]urea (PubChem CID 59320921) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 1-ethyl-3-[3-(7-methylimidazo[1,2-a]pyridin-3-yl)phenyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[3-(7-methylimidazo[1,2-a]pyridin-3-yl)phenyl]urea
PubChem CID59320921
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name1-ethyl-3-[3-(7-methylimidazo[1,2-a]pyridin-3-yl)phenyl]urea
SMILESCCNC(=O)Nc1cccc(-c2cnc3cc(C)ccn23)c1
InChIInChI=1S/C17H18N4O/c1-3-18-17(22)20-14-6-4-5-13(10-14)15-11-19-16-9-12(2)7-8-21(15)16/h4-11H,3H2,1-2H3,(H2,18,20,22)
InChIKeyPBNFRIXEJDKMNN-UHFFFAOYSA-N
XLogP3.45
TPSA58.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[3-(7-methylimidazo[1,2-a]pyridin-3-yl)phenyl]urea?
The IUPAC name of 1-ethyl-3-[3-(7-methylimidazo[1,2-a]pyridin-3-yl)phenyl]urea (CID 59320921) is 1-ethyl-3-[3-(7-methylimidazo[1,2-a]pyridin-3-yl)phenyl]urea.
What is the SMILES notation for 1-ethyl-3-[3-(7-methylimidazo[1,2-a]pyridin-3-yl)phenyl]urea?
The canonical SMILES for 1-ethyl-3-[3-(7-methylimidazo[1,2-a]pyridin-3-yl)phenyl]urea is CCNC(=O)Nc1cccc(-c2cnc3cc(C)ccn23)c1.
What is the InChIKey of 1-ethyl-3-[3-(7-methylimidazo[1,2-a]pyridin-3-yl)phenyl]urea?
The InChIKey is PBNFRIXEJDKMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-3-18-17(22)20-14-6-4-5-13(10-14)15-11-19-16-9-12(2)7-8-21(15)16/h4-11H,3H2,1-2H3,(H2,18,20,22).
What are the key properties of 1-ethyl-3-[3-(7-methylimidazo[1,2-a]pyridin-3-yl)phenyl]urea?
1-ethyl-3-[3-(7-methylimidazo[1,2-a]pyridin-3-yl)phenyl]urea has a molecular weight of 294.36 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[3-(7-methylimidazo[1,2-a]pyridin-3-yl)phenyl]urea is sourced from PubChem (CID 59320921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).