1,1-dimethyl-3-(1-methylimidazol-2-yl)urea

C7H12N4O — CID 110470347

IUPAC1,1-dimethyl-3-(1-methylimidazol-2-yl)urea
SMILESCN(C)C(=O)Nc1nccn1C
InChIInChI=1S/C7H12N4O/c1-10(2)7(12)9-6-8-4-5-11(6)3/h4-5H,1-3H3,(H,8,9,12)
InChIKeyVMRUDUAMWQMBKB-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.51
Rot. Bonds1

About 1,1-dimethyl-3-(1-methylimidazol-2-yl)urea

1,1-dimethyl-3-(1-methylimidazol-2-yl)urea (PubChem CID 110470347) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 1,1-dimethyl-3-(1-methylimidazol-2-yl)urea.

Molecular Properties

Compound Name1,1-dimethyl-3-(1-methylimidazol-2-yl)urea
PubChem CID110470347
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name1,1-dimethyl-3-(1-methylimidazol-2-yl)urea
SMILESCN(C)C(=O)Nc1nccn1C
InChIInChI=1S/C7H12N4O/c1-10(2)7(12)9-6-8-4-5-11(6)3/h4-5H,1-3H3,(H,8,9,12)
InChIKeyVMRUDUAMWQMBKB-UHFFFAOYSA-N
XLogP0.51
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-2-[(1-methylimidazol-2-yl)amino]propanamide
CID 62133303
3-amino-2-methyl-N-(1-methylimidazol-2-yl)butanamide
CID 127004699
(2S)-2-amino-3-methyl-N-(1-methylimidazol-2-yl)butanamide
CID 130993471
3-bromo-N-(1-methylimidazol-2-yl)thiophene-2-carboxamide
CID 131043350
1-methyl-N-(1-methylimidazol-2-yl)pyrazole-4-carboxamide
CID 110471391
4-hydroxy-3,5-dimethyl-N-(1-methylimidazol-2-yl)benzamide
CID 21109027
1-cyano-N-(1-methylimidazol-2-yl)cyclopropane-1-carboxamide
CID 127004619
2-(4-fluorophenyl)-N-(1-methylimidazol-2-yl)acetamide
CID 110472886
2-methyl-N-(1-methylimidazol-2-yl)-1,3-thiazole-4-carboxamide
CID 110474080
3-[(dimethylamino)methyl]-N-(1-methylimidazol-2-yl)benzamide
CID 134708040
1-[(1-methylimidazol-2-yl)amino]cyclopropane-1-carboxylic acid
CID 65452666
N-[2-[(1-methylimidazol-2-yl)amino]ethyl]acetamide
CID 62133096

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-(1-methylimidazol-2-yl)urea?
The IUPAC name of 1,1-dimethyl-3-(1-methylimidazol-2-yl)urea (CID 110470347) is 1,1-dimethyl-3-(1-methylimidazol-2-yl)urea.
What is the SMILES notation for 1,1-dimethyl-3-(1-methylimidazol-2-yl)urea?
The canonical SMILES for 1,1-dimethyl-3-(1-methylimidazol-2-yl)urea is CN(C)C(=O)Nc1nccn1C.
What is the InChIKey of 1,1-dimethyl-3-(1-methylimidazol-2-yl)urea?
The InChIKey is VMRUDUAMWQMBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-10(2)7(12)9-6-8-4-5-11(6)3/h4-5H,1-3H3,(H,8,9,12).
What are the key properties of 1,1-dimethyl-3-(1-methylimidazol-2-yl)urea?
1,1-dimethyl-3-(1-methylimidazol-2-yl)urea has a molecular weight of 168.20 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-(1-methylimidazol-2-yl)urea is sourced from PubChem (CID 110470347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).