1-[3-(2,6-dimethylphenoxy)propyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea

C21H26N4O2 — CID 86904635

IUPAC1-[3-(2,6-dimethylphenoxy)propyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
SMILESCc1cccc(C)c1OCCCNC(=O)NCc1cn2c(C)cccc2n1
InChIInChI=1S/C21H26N4O2/c1-15-7-4-8-16(2)20(15)27-12-6-11-22-21(26)23-13-18-14-25-17(3)9-5-10-19(25)24-18/h4-5,7-10,14H,6,11-13H2,1-3H3,(H2,22,23,26)
InChIKeyYEGOJUFQXPUCFR-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.53
Rot. Bonds7

About 1-[3-(2,6-dimethylphenoxy)propyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea

1-[3-(2,6-dimethylphenoxy)propyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea (PubChem CID 86904635) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 1-[3-(2,6-dimethylphenoxy)propyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[3-(2,6-dimethylphenoxy)propyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
PubChem CID86904635
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name1-[3-(2,6-dimethylphenoxy)propyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
SMILESCc1cccc(C)c1OCCCNC(=O)NCc1cn2c(C)cccc2n1
InChIInChI=1S/C21H26N4O2/c1-15-7-4-8-16(2)20(15)27-12-6-11-22-21(26)23-13-18-14-25-17(3)9-5-10-19(25)24-18/h4-5,7-10,14H,6,11-13H2,1-3H3,(H2,22,23,26)
InChIKeyYEGOJUFQXPUCFR-UHFFFAOYSA-N
XLogP3.53
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3-methylsulfinylbutyl)urea
CID 138043967
1-(3-hydroxy-3-phenylpropyl)-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
CID 111481737
2-(2-methoxyethylamino)-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]acetamide;dihydrochloride
CID 119882864
2-(methylamino)-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]acetamide
CID 83626352
1-(2-hydroxypentyl)-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
CID 111338547
1-[3-(2,6-dimethylphenoxy)propyl]-3-(2-methylpropyl)urea
CID 108881582
2-amino-2-methyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]propanamide;dihydrochloride
CID 119882818
1-hydroxy-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]cyclopentane-1-carboxamide
CID 111112321
1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-methoxyethyl)urea
CID 47216835
4-amino-3-methoxy-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]butanamide
CID 120596760
ethyl N-[2-[3-(2,6-dimethylphenoxy)propylcarbamoylamino]ethyl]carbamate
CID 108881896
1-[3-(2,6-dimethylphenoxy)propyl]-3-(3-phenylpropyl)urea
CID 108881887

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,6-dimethylphenoxy)propyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea?
The IUPAC name of 1-[3-(2,6-dimethylphenoxy)propyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea (CID 86904635) is 1-[3-(2,6-dimethylphenoxy)propyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea.
What is the SMILES notation for 1-[3-(2,6-dimethylphenoxy)propyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea?
The canonical SMILES for 1-[3-(2,6-dimethylphenoxy)propyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea is Cc1cccc(C)c1OCCCNC(=O)NCc1cn2c(C)cccc2n1.
What is the InChIKey of 1-[3-(2,6-dimethylphenoxy)propyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea?
The InChIKey is YEGOJUFQXPUCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-15-7-4-8-16(2)20(15)27-12-6-11-22-21(26)23-13-18-14-25-17(3)9-5-10-19(25)24-18/h4-5,7-10,14H,6,11-13H2,1-3H3,(H2,22,23,26).
What are the key properties of 1-[3-(2,6-dimethylphenoxy)propyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea?
1-[3-(2,6-dimethylphenoxy)propyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea has a molecular weight of 366.47 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,6-dimethylphenoxy)propyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea is sourced from PubChem (CID 86904635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).