3-tert-butyl-1-methyl-1-[(1-methylimidazol-2-yl)methyl]urea

C11H20N4O — CID 97206707

IUPAC3-tert-butyl-1-methyl-1-[(1-methylimidazol-2-yl)methyl]urea
SMILESCN(Cc1nccn1C)C(=O)NC(C)(C)C
InChIInChI=1S/C11H20N4O/c1-11(2,3)13-10(16)15(5)8-9-12-6-7-14(9)4/h6-7H,8H2,1-5H3,(H,13,16)
InChIKeyUPKYEIXTAOMORR-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.36
Rot. Bonds2

About 3-tert-butyl-1-methyl-1-[(1-methylimidazol-2-yl)methyl]urea

3-tert-butyl-1-methyl-1-[(1-methylimidazol-2-yl)methyl]urea (PubChem CID 97206707) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-tert-butyl-1-methyl-1-[(1-methylimidazol-2-yl)methyl]urea.

Molecular Properties

Compound Name3-tert-butyl-1-methyl-1-[(1-methylimidazol-2-yl)methyl]urea
PubChem CID97206707
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name3-tert-butyl-1-methyl-1-[(1-methylimidazol-2-yl)methyl]urea
SMILESCN(Cc1nccn1C)C(=O)NC(C)(C)C
InChIInChI=1S/C11H20N4O/c1-11(2,3)13-10(16)15(5)8-9-12-6-7-14(9)4/h6-7H,8H2,1-5H3,(H,13,16)
InChIKeyUPKYEIXTAOMORR-UHFFFAOYSA-N
XLogP1.36
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Imidazol-1-ylbut-2-ynyl)-1,3,3-trimethylurea
CID 15065573
1-(4-Imidazol-1-ylbut-2-ynyl)imidazolidin-2-one
CID 15065575
1,3-Dihydro-1-[4-(1H-imidazol-1-yl)-2-butynyl]-3-methyl-2H-imidazol-2-one
CID 15065579
N-(4-imidazol-1-ylbut-2-ynyl)acetamide
CID 15065586
N-methyl-N-[5-(2-methylimidazol-1-yl)pent-3-yn-2-yl]acetamide
CID 19902300
1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-[3-(1H-imidazol-1-yl)propyl]urea
CID 659695
N,N'-di-tert-butyl-6-(1H-imidazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 3239868
1-(3-(1H-imidazol-1-yl)propyl)-3-(1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl)urea
CID 659593
N,N-Diethyl-1H-imidazole-1-carboxamide
CID 551772
1H-Imidazolium, 1,3-bis((dimethylamino)carbonyl)-2-methyl-, chloride (1:1)
CID 44152033
N-butyl-1H-imidazole-1-carboxamide
CID 12394419
N-Hexyl-1H-imidazole-1-carboxamide
CID 19871863

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-methyl-1-[(1-methylimidazol-2-yl)methyl]urea?
The IUPAC name of 3-tert-butyl-1-methyl-1-[(1-methylimidazol-2-yl)methyl]urea (CID 97206707) is 3-tert-butyl-1-methyl-1-[(1-methylimidazol-2-yl)methyl]urea.
What is the SMILES notation for 3-tert-butyl-1-methyl-1-[(1-methylimidazol-2-yl)methyl]urea?
The canonical SMILES for 3-tert-butyl-1-methyl-1-[(1-methylimidazol-2-yl)methyl]urea is CN(Cc1nccn1C)C(=O)NC(C)(C)C.
What is the InChIKey of 3-tert-butyl-1-methyl-1-[(1-methylimidazol-2-yl)methyl]urea?
The InChIKey is UPKYEIXTAOMORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-11(2,3)13-10(16)15(5)8-9-12-6-7-14(9)4/h6-7H,8H2,1-5H3,(H,13,16).
What are the key properties of 3-tert-butyl-1-methyl-1-[(1-methylimidazol-2-yl)methyl]urea?
3-tert-butyl-1-methyl-1-[(1-methylimidazol-2-yl)methyl]urea has a molecular weight of 224.31 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-methyl-1-[(1-methylimidazol-2-yl)methyl]urea is sourced from PubChem (CID 97206707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).