1-(4-chlorophenyl)-3-[7-methyl-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-yl]urea

C23H21ClN4O — CID 42694847

IUPAC1-(4-chlorophenyl)-3-[7-methyl-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-yl]urea
SMILESCc1ccn2c(NC(=O)Nc3ccc(Cl)cc3)c(CCc3ccccc3)nc2c1
InChIInChI=1S/C23H21ClN4O/c1-16-13-14-28-21(15-16)26-20(12-7-17-5-3-2-4-6-17)22(28)27-23(29)25-19-10-8-18(24)9-11-19/h2-6,8-11,13-15H,7,12H2,1H3,(H2,25,27,29)
InChIKeyNBOUBDQDUCLHPR-UHFFFAOYSA-N
MW404.90 g/mol
LogP5.73
Rot. Bonds5

About 1-(4-chlorophenyl)-3-[7-methyl-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-yl]urea

1-(4-chlorophenyl)-3-[7-methyl-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-yl]urea (PubChem CID 42694847) has the molecular formula C23H21ClN4O and a molecular weight of 404.90 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[7-methyl-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-yl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[7-methyl-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-yl]urea
PubChem CID42694847
Molecular FormulaC23H21ClN4O
Molecular Weight404.90 g/mol
Exact Mass404.14
IUPAC Name1-(4-chlorophenyl)-3-[7-methyl-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-yl]urea
SMILESCc1ccn2c(NC(=O)Nc3ccc(Cl)cc3)c(CCc3ccccc3)nc2c1
InChIInChI=1S/C23H21ClN4O/c1-16-13-14-28-21(15-16)26-20(12-7-17-5-3-2-4-6-17)22(28)27-23(29)25-19-10-8-18(24)9-11-19/h2-6,8-11,13-15H,7,12H2,1H3,(H2,25,27,29)
InChIKeyNBOUBDQDUCLHPR-UHFFFAOYSA-N
XLogP5.73
TPSA58.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.90
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[7-methyl-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-yl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[7-methyl-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-yl]urea (CID 42694847) is 1-(4-chlorophenyl)-3-[7-methyl-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-yl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[7-methyl-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-yl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[7-methyl-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-yl]urea is Cc1ccn2c(NC(=O)Nc3ccc(Cl)cc3)c(CCc3ccccc3)nc2c1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[7-methyl-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-yl]urea?
The InChIKey is NBOUBDQDUCLHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O/c1-16-13-14-28-21(15-16)26-20(12-7-17-5-3-2-4-6-17)22(28)27-23(29)25-19-10-8-18(24)9-11-19/h2-6,8-11,13-15H,7,12H2,1H3,(H2,25,27,29).
What are the key properties of 1-(4-chlorophenyl)-3-[7-methyl-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-yl]urea?
1-(4-chlorophenyl)-3-[7-methyl-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-yl]urea has a molecular weight of 404.90 g/mol, XLogP of 5.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[7-methyl-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-yl]urea is sourced from PubChem (CID 42694847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).