1-[6-methyl-2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-3-phenylurea

C22H20N4O — CID 42694871

IUPAC1-[6-methyl-2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-3-phenylurea
SMILESCc1ccc2nc(-c3ccccc3C)c(NC(=O)Nc3ccccc3)n2c1
InChIInChI=1S/C22H20N4O/c1-15-12-13-19-24-20(18-11-7-6-8-16(18)2)21(26(19)14-15)25-22(27)23-17-9-4-3-5-10-17/h3-14H,1-2H3,(H2,23,25,27)
InChIKeyPBUPIDYDGLCXAB-UHFFFAOYSA-N
MW356.43 g/mol
LogP5.26
Rot. Bonds3

About 1-[6-methyl-2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-3-phenylurea

1-[6-methyl-2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-3-phenylurea (PubChem CID 42694871) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-[6-methyl-2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[6-methyl-2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-3-phenylurea
PubChem CID42694871
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name1-[6-methyl-2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-3-phenylurea
SMILESCc1ccc2nc(-c3ccccc3C)c(NC(=O)Nc3ccccc3)n2c1
InChIInChI=1S/C22H20N4O/c1-15-12-13-19-24-20(18-11-7-6-8-16(18)2)21(26(19)14-15)25-22(27)23-17-9-4-3-5-10-17/h3-14H,1-2H3,(H2,23,25,27)
InChIKeyPBUPIDYDGLCXAB-UHFFFAOYSA-N
XLogP5.26
TPSA58.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.43
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-[6-methyl-2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
CID 42881752
3-methyl-N-[6-methyl-2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]butanamide
CID 42694564
2,4-dichloro-N-[6-methyl-2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 42881751
1-(4-methylphenyl)-3-(2-phenylimidazo[1,2-a]pyridin-3-yl)urea
CID 4825752
2-chloro-N-[2-(2-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-2-phenylacetamide
CID 42693897
N-[2-(2-fluorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]cyclopentanecarboxamide
CID 42881695
1-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-phenylurea
CID 110472243
N-[2-(2-fluorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-4-(trifluoromethyl)benzamide
CID 42881697
N-[2-(2-fluorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]furan-2-carboxamide
CID 42694227
N-[7-methyl-2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 42881744
N-[2-(2-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]pentanamide
CID 42693919
N-[2-(2-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]furan-2-carboxamide
CID 42693902

Frequently Asked Questions

What is the IUPAC name of 1-[6-methyl-2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-3-phenylurea?
The IUPAC name of 1-[6-methyl-2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-3-phenylurea (CID 42694871) is 1-[6-methyl-2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-3-phenylurea.
What is the SMILES notation for 1-[6-methyl-2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-3-phenylurea?
The canonical SMILES for 1-[6-methyl-2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-3-phenylurea is Cc1ccc2nc(-c3ccccc3C)c(NC(=O)Nc3ccccc3)n2c1.
What is the InChIKey of 1-[6-methyl-2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-3-phenylurea?
The InChIKey is PBUPIDYDGLCXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c1-15-12-13-19-24-20(18-11-7-6-8-16(18)2)21(26(19)14-15)25-22(27)23-17-9-4-3-5-10-17/h3-14H,1-2H3,(H2,23,25,27).
What are the key properties of 1-[6-methyl-2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-3-phenylurea?
1-[6-methyl-2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-3-phenylurea has a molecular weight of 356.43 g/mol, XLogP of 5.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-methyl-2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-3-phenylurea is sourced from PubChem (CID 42694871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).