1-(2,3-dimethylphenyl)-3-[1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-yl]urea

C22H26N4O3 — CID 22577946

IUPAC1-(2,3-dimethylphenyl)-3-[1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-yl]urea
SMILESCOCCn1c(-c2ccc(OC)cc2)cnc1NC(=O)Nc1cccc(C)c1C
InChIInChI=1S/C22H26N4O3/c1-15-6-5-7-19(16(15)2)24-22(27)25-21-23-14-20(26(21)12-13-28-3)17-8-10-18(29-4)11-9-17/h5-11,14H,12-13H2,1-4H3,(H2,23,24,25,27)
InChIKeyDJDBDHQSOAZPMU-UHFFFAOYSA-N
MW394.48 g/mol
LogP4.47
Rot. Bonds7

About 1-(2,3-dimethylphenyl)-3-[1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-yl]urea

1-(2,3-dimethylphenyl)-3-[1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-yl]urea (PubChem CID 22577946) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-3-[1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-yl]urea.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-3-[1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-yl]urea
PubChem CID22577946
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name1-(2,3-dimethylphenyl)-3-[1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-yl]urea
SMILESCOCCn1c(-c2ccc(OC)cc2)cnc1NC(=O)Nc1cccc(C)c1C
InChIInChI=1S/C22H26N4O3/c1-15-6-5-7-19(16(15)2)24-22(27)25-21-23-14-20(26(21)12-13-28-3)17-8-10-18(29-4)11-9-17/h5-11,14H,12-13H2,1-4H3,(H2,23,24,25,27)
InChIKeyDJDBDHQSOAZPMU-UHFFFAOYSA-N
XLogP4.47
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]-3-phenylurea
CID 22577953
1-(3-chlorophenyl)-3-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]urea
CID 22577951
1-(3-ethoxypropyl)-3-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]urea
CID 22577970
1-(2,3-dimethylphenyl)-3-(4-methoxy-2-methylphenyl)urea
CID 46860194
N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]benzamide
CID 1096852
N-(2,3-dimethylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392130
N-(2,3-dimethylphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100502178
N'-(2,3-dimethylphenyl)-N-(4-methoxyphenyl)oxamide
CID 44995875
N-(2,3-dimethylphenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789567
N-(2,3-dimethylphenyl)-2-(4-methoxyphenoxy)butanamide
CID 17034276
1-(2,3-dimethylphenyl)-3-[3-(4-methylphenoxy)propyl]urea
CID 108881295
N-(2,3-dimethylphenyl)-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide
CID 109239216

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-3-[1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-yl]urea?
The IUPAC name of 1-(2,3-dimethylphenyl)-3-[1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-yl]urea (CID 22577946) is 1-(2,3-dimethylphenyl)-3-[1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-yl]urea.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-3-[1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-yl]urea?
The canonical SMILES for 1-(2,3-dimethylphenyl)-3-[1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-yl]urea is COCCn1c(-c2ccc(OC)cc2)cnc1NC(=O)Nc1cccc(C)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-3-[1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-yl]urea?
The InChIKey is DJDBDHQSOAZPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-15-6-5-7-19(16(15)2)24-22(27)25-21-23-14-20(26(21)12-13-28-3)17-8-10-18(29-4)11-9-17/h5-11,14H,12-13H2,1-4H3,(H2,23,24,25,27).
What are the key properties of 1-(2,3-dimethylphenyl)-3-[1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-yl]urea?
1-(2,3-dimethylphenyl)-3-[1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-yl]urea has a molecular weight of 394.48 g/mol, XLogP of 4.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-3-[1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-yl]urea is sourced from PubChem (CID 22577946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).