[4-[[8-(3-chlorophenyl)-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]methyl]phenyl]urea

C23H21ClN4O — CID 46215994

IUPAC[4-[[8-(3-chlorophenyl)-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]methyl]phenyl]urea
SMILESCc1nc2c(-c3cccc(Cl)c3)cc(Cc3ccc(NC(N)=O)cc3)cn2c1C
InChIInChI=1S/C23H21ClN4O/c1-14-15(2)28-13-17(10-16-6-8-20(9-7-16)27-23(25)29)11-21(22(28)26-14)18-4-3-5-19(24)12-18/h3-9,11-13H,10H2,1-2H3,(H3,25,27,29)
InChIKeyZTAPTVOQLHVOGT-UHFFFAOYSA-N
MW404.90 g/mol
LogP5.35
Rot. Bonds4

About [4-[[8-(3-chlorophenyl)-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]methyl]phenyl]urea

[4-[[8-(3-chlorophenyl)-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]methyl]phenyl]urea (PubChem CID 46215994) has the molecular formula C23H21ClN4O and a molecular weight of 404.90 g/mol. Its IUPAC name is [4-[[8-(3-chlorophenyl)-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]methyl]phenyl]urea.

Molecular Properties

Compound Name[4-[[8-(3-chlorophenyl)-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]methyl]phenyl]urea
PubChem CID46215994
Molecular FormulaC23H21ClN4O
Molecular Weight404.90 g/mol
Exact Mass404.14
IUPAC Name[4-[[8-(3-chlorophenyl)-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]methyl]phenyl]urea
SMILESCc1nc2c(-c3cccc(Cl)c3)cc(Cc3ccc(NC(N)=O)cc3)cn2c1C
InChIInChI=1S/C23H21ClN4O/c1-14-15(2)28-13-17(10-16-6-8-20(9-7-16)27-23(25)29)11-21(22(28)26-14)18-4-3-5-19(24)12-18/h3-9,11-13H,10H2,1-2H3,(H3,25,27,29)
InChIKeyZTAPTVOQLHVOGT-UHFFFAOYSA-N
XLogP5.35
TPSA72.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.90
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-[[8-(3-chlorophenyl)-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]methyl]phenyl]urea with MolForge

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Related Compounds

methyl 8-(3-chlorophenyl)-2,3-dimethylimidazo[1,2-a]pyridine-6-carboxylate
CID 68621160
methyl 4-[8-(3-chlorophenyl)-6-(methoxycarbonyloxymethyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-4H-pyridine-1-carboxylate
CID 68618616
methyl 5-[[8-(3-chlorophenyl)-2-methylimidazo[1,2-a]pyridin-6-yl]methyl]pyridine-2-carboxylate
CID 68620729
8-(3-chlorophenyl)-N-(4-ethylphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 30315114
1-[5-[[8-(3-chlorophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methyl]-2-pyridinyl]-3-ethylurea
CID 70231179
[4-[[3-(3-chlorophenyl)-4-(difluoromethoxy)-2-fluorophenyl]methyl]phenyl]urea
CID 69003911
N-[4-[[2-amino-4-(3-chlorophenyl)-1,3-benzothiazol-6-yl]methyl]phenyl]hydroxylamine
CID 143810401
[4-[3-(3-chlorophenyl)-4-methoxy-N-methylanilino]phenyl]urea
CID 58019940
8-(3-chlorophenyl)-2-methyl-N-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 70231246
(3-chlorophenyl)urea;1,2-xylene
CID 70502289
[4-[2-[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]-2-hydroxyethyl]phenyl]urea
CID 68790612
methyl 8-(3-chlorophenyl)-2-methylimidazo[1,2-a]pyridine-6-carboxylate
CID 68619530

Frequently Asked Questions

What is the IUPAC name of [4-[[8-(3-chlorophenyl)-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]methyl]phenyl]urea?
The IUPAC name of [4-[[8-(3-chlorophenyl)-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]methyl]phenyl]urea (CID 46215994) is [4-[[8-(3-chlorophenyl)-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]methyl]phenyl]urea.
What is the SMILES notation for [4-[[8-(3-chlorophenyl)-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]methyl]phenyl]urea?
The canonical SMILES for [4-[[8-(3-chlorophenyl)-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]methyl]phenyl]urea is Cc1nc2c(-c3cccc(Cl)c3)cc(Cc3ccc(NC(N)=O)cc3)cn2c1C.
What is the InChIKey of [4-[[8-(3-chlorophenyl)-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]methyl]phenyl]urea?
The InChIKey is ZTAPTVOQLHVOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O/c1-14-15(2)28-13-17(10-16-6-8-20(9-7-16)27-23(25)29)11-21(22(28)26-14)18-4-3-5-19(24)12-18/h3-9,11-13H,10H2,1-2H3,(H3,25,27,29).
What are the key properties of [4-[[8-(3-chlorophenyl)-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]methyl]phenyl]urea?
[4-[[8-(3-chlorophenyl)-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]methyl]phenyl]urea has a molecular weight of 404.90 g/mol, XLogP of 5.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[8-(3-chlorophenyl)-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]methyl]phenyl]urea is sourced from PubChem (CID 46215994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).