2,5-dimethyl-1H-imidazole;urea

C6H12N4O — CID 172859252

IUPAC2,5-dimethyl-1H-imidazole;urea
SMILESCc1cnc(C)[nH]1.NC(N)=O
InChIInChI=1S/C5H8N2.CH4N2O/c1-4-3-6-5(2)7-4;2-1(3)4/h3H,1-2H3,(H,6,7);(H4,2,3,4)
InChIKeyZDBXJMOMMSATOW-UHFFFAOYSA-N
MW156.19 g/mol
LogP0.05
Rot. Bonds

About 2,5-dimethyl-1H-imidazole;urea

2,5-dimethyl-1H-imidazole;urea (PubChem CID 172859252) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is 2,5-dimethyl-1H-imidazole;urea.

Molecular Properties

Compound Name2,5-dimethyl-1H-imidazole;urea
PubChem CID172859252
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Name2,5-dimethyl-1H-imidazole;urea
SMILESCc1cnc(C)[nH]1.NC(N)=O
InChIInChI=1S/C5H8N2.CH4N2O/c1-4-3-6-5(2)7-4;2-1(3)4/h3H,1-2H3,(H,6,7);(H4,2,3,4)
InChIKeyZDBXJMOMMSATOW-UHFFFAOYSA-N
XLogP0.05
TPSA97.79 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methylimidazole
CID 13195
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CID 70262
Acetylhistamine
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CID 70259
2-Methylhistamine
CID 91613
2-Methyl-5-(trifluoromethyl)-1H-imidazole
CID 591635
Imidazole, 4-methyl-2-nitro-, mixed with 5-methyl-2-nitroimidazole (1:1)
CID 21274
2-Iodo-4-methyl-1H-imidazole
CID 322560
5-methyl-1H-imidazol-2-amine
CID 322559
N-(4-Methyl-1H-imidazol-2-yl)-acetamide
CID 566330
2-Methylhistamine dihydrochloride
CID 18536161
2-methyl-1H-imidazole-4-carbothioamide
CID 2796714

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1H-imidazole;urea?
The IUPAC name of 2,5-dimethyl-1H-imidazole;urea (CID 172859252) is 2,5-dimethyl-1H-imidazole;urea.
What is the SMILES notation for 2,5-dimethyl-1H-imidazole;urea?
The canonical SMILES for 2,5-dimethyl-1H-imidazole;urea is Cc1cnc(C)[nH]1.NC(N)=O.
What is the InChIKey of 2,5-dimethyl-1H-imidazole;urea?
The InChIKey is ZDBXJMOMMSATOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2.CH4N2O/c1-4-3-6-5(2)7-4;2-1(3)4/h3H,1-2H3,(H,6,7);(H4,2,3,4).
What are the key properties of 2,5-dimethyl-1H-imidazole;urea?
2,5-dimethyl-1H-imidazole;urea has a molecular weight of 156.19 g/mol, XLogP of 0.05, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1H-imidazole;urea is sourced from PubChem (CID 172859252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).