1-(4-bromophenyl)-3-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]urea

C19H14BrN5O — CID 57402329

IUPAC1-(4-bromophenyl)-3-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]urea
SMILESO=C(Nc1ccc(Br)cc1)Nc1ccc(-c2ccnc3nc[nH]c23)cc1
InChIInChI=1S/C19H14BrN5O/c20-13-3-7-15(8-4-13)25-19(26)24-14-5-1-12(2-6-14)16-9-10-21-18-17(16)22-11-23-18/h1-11H,(H,21,22,23)(H2,24,25,26)
InChIKeyAEEXIWXDMCZBGH-UHFFFAOYSA-N
MW408.26 g/mol
LogP5.03
Rot. Bonds3

About 1-(4-bromophenyl)-3-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]urea

1-(4-bromophenyl)-3-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]urea (PubChem CID 57402329) has the molecular formula C19H14BrN5O and a molecular weight of 408.26 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]urea.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]urea
PubChem CID57402329
Molecular FormulaC19H14BrN5O
Molecular Weight408.26 g/mol
Exact Mass407.04
IUPAC Name1-(4-bromophenyl)-3-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]urea
SMILESO=C(Nc1ccc(Br)cc1)Nc1ccc(-c2ccnc3nc[nH]c23)cc1
InChIInChI=1S/C19H14BrN5O/c20-13-3-7-15(8-4-13)25-19(26)24-14-5-1-12(2-6-14)16-9-10-21-18-17(16)22-11-23-18/h1-11H,(H,21,22,23)(H2,24,25,26)
InChIKeyAEEXIWXDMCZBGH-UHFFFAOYSA-N
XLogP5.03
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.26
LogP ≤ 55.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]urea?
The IUPAC name of 1-(4-bromophenyl)-3-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]urea (CID 57402329) is 1-(4-bromophenyl)-3-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]urea.
What is the SMILES notation for 1-(4-bromophenyl)-3-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]urea?
The canonical SMILES for 1-(4-bromophenyl)-3-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]urea is O=C(Nc1ccc(Br)cc1)Nc1ccc(-c2ccnc3nc[nH]c23)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]urea?
The InChIKey is AEEXIWXDMCZBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN5O/c20-13-3-7-15(8-4-13)25-19(26)24-14-5-1-12(2-6-14)16-9-10-21-18-17(16)22-11-23-18/h1-11H,(H,21,22,23)(H2,24,25,26).
What are the key properties of 1-(4-bromophenyl)-3-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]urea?
1-(4-bromophenyl)-3-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]urea has a molecular weight of 408.26 g/mol, XLogP of 5.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]urea is sourced from PubChem (CID 57402329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).