1-(5-bromo-2,4-dimethoxyphenyl)-3-[4-(2-pyridin-4-ylimidazol-1-yl)phenyl]urea

C23H20BrN5O3 — CID 11555014

IUPAC1-(5-bromo-2,4-dimethoxyphenyl)-3-[4-(2-pyridin-4-ylimidazol-1-yl)phenyl]urea
SMILESCOc1cc(OC)c(NC(=O)Nc2ccc(-n3ccnc3-c3ccncc3)cc2)cc1Br
InChIInChI=1S/C23H20BrN5O3/c1-31-20-14-21(32-2)19(13-18(20)24)28-23(30)27-16-3-5-17(6-4-16)29-12-11-26-22(29)15-7-9-25-10-8-15/h3-14H,1-2H3,(H2,27,28,30)
InChIKeyFTZSEDMTIBRLJV-UHFFFAOYSA-N
MW494.35 g/mol
LogP5.36
Rot. Bonds6

About 1-(5-bromo-2,4-dimethoxyphenyl)-3-[4-(2-pyridin-4-ylimidazol-1-yl)phenyl]urea

1-(5-bromo-2,4-dimethoxyphenyl)-3-[4-(2-pyridin-4-ylimidazol-1-yl)phenyl]urea (PubChem CID 11555014) has the molecular formula C23H20BrN5O3 and a molecular weight of 494.35 g/mol. Its IUPAC name is 1-(5-bromo-2,4-dimethoxyphenyl)-3-[4-(2-pyridin-4-ylimidazol-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-(5-bromo-2,4-dimethoxyphenyl)-3-[4-(2-pyridin-4-ylimidazol-1-yl)phenyl]urea
PubChem CID11555014
Molecular FormulaC23H20BrN5O3
Molecular Weight494.35 g/mol
Exact Mass493.07
IUPAC Name1-(5-bromo-2,4-dimethoxyphenyl)-3-[4-(2-pyridin-4-ylimidazol-1-yl)phenyl]urea
SMILESCOc1cc(OC)c(NC(=O)Nc2ccc(-n3ccnc3-c3ccncc3)cc2)cc1Br
InChIInChI=1S/C23H20BrN5O3/c1-31-20-14-21(32-2)19(13-18(20)24)28-23(30)27-16-3-5-17(6-4-16)29-12-11-26-22(29)15-7-9-25-10-8-15/h3-14H,1-2H3,(H2,27,28,30)
InChIKeyFTZSEDMTIBRLJV-UHFFFAOYSA-N
XLogP5.36
TPSA90.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.35
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(5-bromo-2,4-dimethoxyphenyl)-3-[4-(2-pyridin-4-ylimidazol-1-yl)phenyl]urea with MolForge

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Related Compounds

1-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-3-[4-(2-pyridin-4-ylimidazol-1-yl)phenyl]urea
CID 11612749
1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(2-pyridin-4-ylimidazol-1-yl)-2-(trifluoromethyl)phenyl]urea
CID 11511958
1-(4-bromo-2,5-dimethoxyphenyl)-3-(4-methylphenyl)urea
CID 19170100
1-(5-chloro-2,4-dimethoxyphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]urea
CID 67053113
4-[2-(4-methoxyphenyl)imidazol-1-yl]pyridine
CID 57150181
1-(5-bromo-2,4-dimethoxyphenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 11406150
1-(2,4-dimethoxyphenyl)-3-[6-(2-methylimidazol-1-yl)-3-pyridinyl]urea
CID 90565145
ethyl N-[4-[2-(3-hydroxyphenyl)imidazol-1-yl]phenyl]carbamate
CID 70718477
1-(4-bromophenyl)-3-(2-methoxy-5-methylphenyl)urea
CID 17284854
1-(2,4-dimethoxy-5-methylphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea
CID 143051038
N-(3-bromo-4-methoxyphenyl)pyridine-4-carboxamide
CID 110776808
1-(4-bromophenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea
CID 108869311

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2,4-dimethoxyphenyl)-3-[4-(2-pyridin-4-ylimidazol-1-yl)phenyl]urea?
The IUPAC name of 1-(5-bromo-2,4-dimethoxyphenyl)-3-[4-(2-pyridin-4-ylimidazol-1-yl)phenyl]urea (CID 11555014) is 1-(5-bromo-2,4-dimethoxyphenyl)-3-[4-(2-pyridin-4-ylimidazol-1-yl)phenyl]urea.
What is the SMILES notation for 1-(5-bromo-2,4-dimethoxyphenyl)-3-[4-(2-pyridin-4-ylimidazol-1-yl)phenyl]urea?
The canonical SMILES for 1-(5-bromo-2,4-dimethoxyphenyl)-3-[4-(2-pyridin-4-ylimidazol-1-yl)phenyl]urea is COc1cc(OC)c(NC(=O)Nc2ccc(-n3ccnc3-c3ccncc3)cc2)cc1Br.
What is the InChIKey of 1-(5-bromo-2,4-dimethoxyphenyl)-3-[4-(2-pyridin-4-ylimidazol-1-yl)phenyl]urea?
The InChIKey is FTZSEDMTIBRLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrN5O3/c1-31-20-14-21(32-2)19(13-18(20)24)28-23(30)27-16-3-5-17(6-4-16)29-12-11-26-22(29)15-7-9-25-10-8-15/h3-14H,1-2H3,(H2,27,28,30).
What are the key properties of 1-(5-bromo-2,4-dimethoxyphenyl)-3-[4-(2-pyridin-4-ylimidazol-1-yl)phenyl]urea?
1-(5-bromo-2,4-dimethoxyphenyl)-3-[4-(2-pyridin-4-ylimidazol-1-yl)phenyl]urea has a molecular weight of 494.35 g/mol, XLogP of 5.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2,4-dimethoxyphenyl)-3-[4-(2-pyridin-4-ylimidazol-1-yl)phenyl]urea is sourced from PubChem (CID 11555014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).