1-(3-methoxyphenyl)-3-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea

C22H20N4O2 — CID 121089854

IUPAC1-(3-methoxyphenyl)-3-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea
SMILESCOc1cccc(NC(=O)Nc2ccc(-c3cn4ccc(C)cc4n3)cc2)c1
InChIInChI=1S/C22H20N4O2/c1-15-10-11-26-14-20(25-21(26)12-15)16-6-8-17(9-7-16)23-22(27)24-18-4-3-5-19(13-18)28-2/h3-14H,1-2H3,(H2,23,24,27)
InChIKeyYRHPPYJDZFVOEO-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.96
Rot. Bonds4

About 1-(3-methoxyphenyl)-3-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea

1-(3-methoxyphenyl)-3-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea (PubChem CID 121089854) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea
PubChem CID121089854
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name1-(3-methoxyphenyl)-3-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea
SMILESCOc1cccc(NC(=O)Nc2ccc(-c3cn4ccc(C)cc4n3)cc2)c1
InChIInChI=1S/C22H20N4O2/c1-15-10-11-26-14-20(25-21(26)12-15)16-6-8-17(9-7-16)23-22(27)24-18-4-3-5-19(13-18)28-2/h3-14H,1-2H3,(H2,23,24,27)
InChIKeyYRHPPYJDZFVOEO-UHFFFAOYSA-N
XLogP4.96
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea?
The IUPAC name of 1-(3-methoxyphenyl)-3-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea (CID 121089854) is 1-(3-methoxyphenyl)-3-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea is COc1cccc(NC(=O)Nc2ccc(-c3cn4ccc(C)cc4n3)cc2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea?
The InChIKey is YRHPPYJDZFVOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-15-10-11-26-14-20(25-21(26)12-15)16-6-8-17(9-7-16)23-22(27)24-18-4-3-5-19(13-18)28-2/h3-14H,1-2H3,(H2,23,24,27).
What are the key properties of 1-(3-methoxyphenyl)-3-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea?
1-(3-methoxyphenyl)-3-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea has a molecular weight of 372.43 g/mol, XLogP of 4.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea is sourced from PubChem (CID 121089854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).