1-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-1,3-dimethylurea

C18H17BrCl2N4O2 — CID 10504612

IUPAC1-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-1,3-dimethylurea
SMILESCNC(=O)N(C)c1ccc(Cl)c(COc2cccn3c(Br)c(C)nc23)c1Cl
InChIInChI=1S/C18H17BrCl2N4O2/c1-10-16(19)25-8-4-5-14(17(25)23-10)27-9-11-12(20)6-7-13(15(11)21)24(3)18(26)22-2/h4-8H,9H2,1-3H3,(H,22,26)
InChIKeyKQUYKWFSFJTMRI-UHFFFAOYSA-N
MW472.17 g/mol
LogP5.07
Rot. Bonds4

About 1-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-1,3-dimethylurea

1-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-1,3-dimethylurea (PubChem CID 10504612) has the molecular formula C18H17BrCl2N4O2 and a molecular weight of 472.17 g/mol. Its IUPAC name is 1-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-1,3-dimethylurea.

Molecular Properties

Compound Name1-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-1,3-dimethylurea
PubChem CID10504612
Molecular FormulaC18H17BrCl2N4O2
Molecular Weight472.17 g/mol
Exact Mass469.99
IUPAC Name1-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-1,3-dimethylurea
SMILESCNC(=O)N(C)c1ccc(Cl)c(COc2cccn3c(Br)c(C)nc23)c1Cl
InChIInChI=1S/C18H17BrCl2N4O2/c1-10-16(19)25-8-4-5-14(17(25)23-10)27-9-11-12(20)6-7-13(15(11)21)24(3)18(26)22-2/h4-8H,9H2,1-3H3,(H,22,26)
InChIKeyKQUYKWFSFJTMRI-UHFFFAOYSA-N
XLogP5.07
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.17
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[acetyl(bromo)amino]-N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide
CID 18923379
N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]propanamide
CID 10649831
N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 67625015
N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-[(2-phenoxyacetyl)amino]acetamide
CID 18923274
N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]-2-phenylacetamide;hydrochloride
CID 45261914
N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-[(2-phenoxyacetyl)amino]acetamide;hydrochloride
CID 23371740
N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]-3-(dimethylamino)propanamide;dihydrochloride
CID 23371741
[acetyl-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]amino] acetate;hydrochloride
CID 18923532
N-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]carbamoyl]benzamide
CID 10579723
N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]heptanamide
CID 18923575
N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-(phenylcarbamothioylamino)acetamide
CID 18923268
N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]-2-(cyclopropylamino)acetamide;dihydrochloride
CID 18923707

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-1,3-dimethylurea?
The IUPAC name of 1-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-1,3-dimethylurea (CID 10504612) is 1-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-1,3-dimethylurea.
What is the SMILES notation for 1-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-1,3-dimethylurea?
The canonical SMILES for 1-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-1,3-dimethylurea is CNC(=O)N(C)c1ccc(Cl)c(COc2cccn3c(Br)c(C)nc23)c1Cl.
What is the InChIKey of 1-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-1,3-dimethylurea?
The InChIKey is KQUYKWFSFJTMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrCl2N4O2/c1-10-16(19)25-8-4-5-14(17(25)23-10)27-9-11-12(20)6-7-13(15(11)21)24(3)18(26)22-2/h4-8H,9H2,1-3H3,(H,22,26).
What are the key properties of 1-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-1,3-dimethylurea?
1-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-1,3-dimethylurea has a molecular weight of 472.17 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-1,3-dimethylurea is sourced from PubChem (CID 10504612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).