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

C20H17N5O — CID 58317775

IUPAC[4-[3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]urea
SMILESCc1ccc(-n2c(-c3ccc(NC(N)=O)cc3)nc3cccnc32)cc1
InChIInChI=1S/C20H17N5O/c1-13-4-10-16(11-5-13)25-18(24-17-3-2-12-22-19(17)25)14-6-8-15(9-7-14)23-20(21)26/h2-12H,1H3,(H3,21,23,26)
InChIKeyAESAMNCHGYAAMZ-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.89
Rot. Bonds3

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

[4-[3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]urea (PubChem CID 58317775) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is [4-[3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]urea.

Molecular Properties

Compound Name[4-[3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]urea
PubChem CID58317775
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name[4-[3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]urea
SMILESCc1ccc(-n2c(-c3ccc(NC(N)=O)cc3)nc3cccnc32)cc1
InChIInChI=1S/C20H17N5O/c1-13-4-10-16(11-5-13)25-18(24-17-3-2-12-22-19(17)25)14-6-8-15(9-7-14)23-20(21)26/h2-12H,1H3,(H3,21,23,26)
InChIKeyAESAMNCHGYAAMZ-UHFFFAOYSA-N
XLogP3.89
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]acetamide
CID 58344944
2-[4-(2-phenylimidazo[4,5-b]pyridin-3-yl)phenyl]-N-propan-2-ylacetamide
CID 20916212
3-phenyl-2-[4-[10-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[4,5-b]pyridine
CID 23391355
4-(2-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)phenol
CID 117164759
tert-butyl N-[4-[2-(2,4-dihydroxy-5-methylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]carbamate
CID 178120449
[4-(2-phenylimidazo[4,5-b]pyridin-3-yl)phenyl]-piperidin-1-ylmethanone
CID 20916124
N-[2-(dimethylamino)ethyl]-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)benzamide
CID 20916098
3-(4-methylphenyl)-2-[[3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methoxymethyl]imidazo[4,5-b]pyridine
CID 20955885
2-naphthalen-2-yl-3-phenylimidazo[4,5-b]pyridine
CID 23527790
1-(4-methylphenyl)-3-[4-(4-oxo-2-phenylquinazolin-3-yl)phenyl]sulfonylurea
CID 3087297
[4-(2-phenylimidazo[4,5-b]pyridin-3-yl)phenyl]-(4-propylpiperazin-1-yl)methanone
CID 20916120
2-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-N-(4-methylphenyl)acetamide
CID 46344109

Frequently Asked Questions

What is the IUPAC name of [4-[3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]urea?
The IUPAC name of [4-[3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]urea (CID 58317775) is [4-[3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]urea.
What is the SMILES notation for [4-[3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]urea?
The canonical SMILES for [4-[3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]urea is Cc1ccc(-n2c(-c3ccc(NC(N)=O)cc3)nc3cccnc32)cc1.
What is the InChIKey of [4-[3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]urea?
The InChIKey is AESAMNCHGYAAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-13-4-10-16(11-5-13)25-18(24-17-3-2-12-22-19(17)25)14-6-8-15(9-7-14)23-20(21)26/h2-12H,1H3,(H3,21,23,26).
What are the key properties of [4-[3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]urea?
[4-[3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]urea has a molecular weight of 343.39 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]urea is sourced from PubChem (CID 58317775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).