1-(2-chlorophenyl)-3-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea

C22H20ClN5O — CID 53021844

IUPAC1-(2-chlorophenyl)-3-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea
SMILESCc1ccc(-c2nc3cccnc3n2CCNC(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C22H20ClN5O/c1-15-8-10-16(11-9-15)20-26-19-7-4-12-24-21(19)28(20)14-13-25-22(29)27-18-6-3-2-5-17(18)23/h2-12H,13-14H2,1H3,(H2,25,27,29)
InChIKeyJBCLRWVCHNLQIS-UHFFFAOYSA-N
MW405.89 g/mol
LogP4.88
Rot. Bonds5

About 1-(2-chlorophenyl)-3-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea

1-(2-chlorophenyl)-3-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea (PubChem CID 53021844) has the molecular formula C22H20ClN5O and a molecular weight of 405.89 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea
PubChem CID53021844
Molecular FormulaC22H20ClN5O
Molecular Weight405.89 g/mol
Exact Mass405.14
IUPAC Name1-(2-chlorophenyl)-3-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea
SMILESCc1ccc(-c2nc3cccnc3n2CCNC(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C22H20ClN5O/c1-15-8-10-16(11-9-15)20-26-19-7-4-12-24-21(19)28(20)14-13-25-22(29)27-18-6-3-2-5-17(18)23/h2-12H,13-14H2,1H3,(H2,25,27,29)
InChIKeyJBCLRWVCHNLQIS-UHFFFAOYSA-N
XLogP4.88
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.89
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)-3-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]urea
CID 53021890
1-(2-chlorophenyl)-3-[3-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)propyl]urea
CID 50788145
1-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-3-[(4-methylphenyl)methyl]urea
CID 53019858
1-(2-methoxyphenyl)-3-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]urea
CID 53021888
N-(2-chlorophenyl)-4-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide
CID 46389455
1-butan-2-yl-3-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea
CID 53021869
1-(2,4-difluorophenyl)-3-[2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea
CID 53021836
1-(3-chlorophenyl)-3-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]urea
CID 53021921
1-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 53021905
1-(3,4-dimethylphenyl)-3-[2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea
CID 53021811
N-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]pyrazine-2-carboxamide
CID 46286381
1-(2-fluorophenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea
CID 46287017

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea (CID 53021844) is 1-(2-chlorophenyl)-3-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea is Cc1ccc(-c2nc3cccnc3n2CCNC(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of 1-(2-chlorophenyl)-3-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea?
The InChIKey is JBCLRWVCHNLQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5O/c1-15-8-10-16(11-9-15)20-26-19-7-4-12-24-21(19)28(20)14-13-25-22(29)27-18-6-3-2-5-17(18)23/h2-12H,13-14H2,1H3,(H2,25,27,29).
What are the key properties of 1-(2-chlorophenyl)-3-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea?
1-(2-chlorophenyl)-3-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea has a molecular weight of 405.89 g/mol, XLogP of 4.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea is sourced from PubChem (CID 53021844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).