3-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,1-dimethylurea

C15H20N4O2 — CID 110429250

IUPAC3-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,1-dimethylurea
SMILESCOc1ccc(C(NC(=O)N(C)C)c2nccn2C)cc1
InChIInChI=1S/C15H20N4O2/c1-18(2)15(20)17-13(14-16-9-10-19(14)3)11-5-7-12(21-4)8-6-11/h5-10,13H,1-4H3,(H,17,20)
InChIKeyXVERDWJXYBNRNW-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.79
Rot. Bonds4

About 3-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,1-dimethylurea

3-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,1-dimethylurea (PubChem CID 110429250) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,1-dimethylurea
PubChem CID110429250
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name3-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,1-dimethylurea
SMILESCOc1ccc(C(NC(=O)N(C)C)c2nccn2C)cc1
InChIInChI=1S/C15H20N4O2/c1-18(2)15(20)17-13(14-16-9-10-19(14)3)11-5-7-12(21-4)8-6-11/h5-10,13H,1-4H3,(H,17,20)
InChIKeyXVERDWJXYBNRNW-UHFFFAOYSA-N
XLogP1.79
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 46528475
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclobutanecarboxamide
CID 46528505
4-amino-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pentanamide
CID 120564384
3,4-dimethoxy-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 46528524
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-6-methylpyridine-3-carboxamide
CID 46451083
1-[(2R)-2-hydroxypropyl]-3-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 94027654
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide
CID 110429336
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide
CID 46529258
N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]adamantane-1-carboxamide
CID 25389534
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide
CID 42924338
1-(3,4-dichlorophenyl)-3-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 25325163
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(trifluoromethylsulfonyl)benzamide
CID 46569284

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,1-dimethylurea?
The IUPAC name of 3-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,1-dimethylurea (CID 110429250) is 3-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,1-dimethylurea?
The canonical SMILES for 3-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,1-dimethylurea is COc1ccc(C(NC(=O)N(C)C)c2nccn2C)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,1-dimethylurea?
The InChIKey is XVERDWJXYBNRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-18(2)15(20)17-13(14-16-9-10-19(14)3)11-5-7-12(21-4)8-6-11/h5-10,13H,1-4H3,(H,17,20).
What are the key properties of 3-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,1-dimethylurea?
3-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,1-dimethylurea has a molecular weight of 288.35 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,1-dimethylurea is sourced from PubChem (CID 110429250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).