3-(1-imidazol-1-yl-2-methylpropan-2-yl)-1-methyl-1-(3-methylbutyl)urea

C14H26N4O — CID 20673455

IUPAC3-(1-imidazol-1-yl-2-methylpropan-2-yl)-1-methyl-1-(3-methylbutyl)urea
SMILESCC(C)CCN(C)C(=O)NC(C)(C)Cn1ccnc1
InChIInChI=1S/C14H26N4O/c1-12(2)6-8-17(5)13(19)16-14(3,4)10-18-9-7-15-11-18/h7,9,11-12H,6,8,10H2,1-5H3,(H,16,19)
InChIKeyDDABWUFMOMMYPP-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.35
Rot. Bonds6

About 3-(1-imidazol-1-yl-2-methylpropan-2-yl)-1-methyl-1-(3-methylbutyl)urea

3-(1-imidazol-1-yl-2-methylpropan-2-yl)-1-methyl-1-(3-methylbutyl)urea (PubChem CID 20673455) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 3-(1-imidazol-1-yl-2-methylpropan-2-yl)-1-methyl-1-(3-methylbutyl)urea.

Molecular Properties

Compound Name3-(1-imidazol-1-yl-2-methylpropan-2-yl)-1-methyl-1-(3-methylbutyl)urea
PubChem CID20673455
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name3-(1-imidazol-1-yl-2-methylpropan-2-yl)-1-methyl-1-(3-methylbutyl)urea
SMILESCC(C)CCN(C)C(=O)NC(C)(C)Cn1ccnc1
InChIInChI=1S/C14H26N4O/c1-12(2)6-8-17(5)13(19)16-14(3,4)10-18-9-7-15-11-18/h7,9,11-12H,6,8,10H2,1-5H3,(H,16,19)
InChIKeyDDABWUFMOMMYPP-UHFFFAOYSA-N
XLogP2.35
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-amine
CID 4310329
1-(4-Imidazol-1-ylbut-2-ynyl)-1,3,3-trimethylurea
CID 15065573
N-butyl-N'-[3-(1H-imidazol-1-yl)propyl]ethanediamide
CID 565508
1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-[3-(1H-imidazol-1-yl)propyl]urea
CID 659695
1-(3-(1H-imidazol-1-yl)propyl)-3-(1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl)urea
CID 659593
N-butyl-1H-imidazole-1-carboxamide
CID 12394419
N-octyl-1H-imidazole-1-carboxamide
CID 18328498
N-Hexyl-1H-imidazole-1-carboxamide
CID 19871863
N,N-dipropylimidazole-1-carboxamide
CID 44306094
N-[3-(1H-imidazol-1-yl)propyl]-2,2-dimethylpropanamide
CID 3494332
N-butyl-2-imidazol-1-yl-acetamide
CID 44139807
N,2-dibutylimidazole-1-carboxamide
CID 44306016

Frequently Asked Questions

What is the IUPAC name of 3-(1-imidazol-1-yl-2-methylpropan-2-yl)-1-methyl-1-(3-methylbutyl)urea?
The IUPAC name of 3-(1-imidazol-1-yl-2-methylpropan-2-yl)-1-methyl-1-(3-methylbutyl)urea (CID 20673455) is 3-(1-imidazol-1-yl-2-methylpropan-2-yl)-1-methyl-1-(3-methylbutyl)urea.
What is the SMILES notation for 3-(1-imidazol-1-yl-2-methylpropan-2-yl)-1-methyl-1-(3-methylbutyl)urea?
The canonical SMILES for 3-(1-imidazol-1-yl-2-methylpropan-2-yl)-1-methyl-1-(3-methylbutyl)urea is CC(C)CCN(C)C(=O)NC(C)(C)Cn1ccnc1.
What is the InChIKey of 3-(1-imidazol-1-yl-2-methylpropan-2-yl)-1-methyl-1-(3-methylbutyl)urea?
The InChIKey is DDABWUFMOMMYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-12(2)6-8-17(5)13(19)16-14(3,4)10-18-9-7-15-11-18/h7,9,11-12H,6,8,10H2,1-5H3,(H,16,19).
What are the key properties of 3-(1-imidazol-1-yl-2-methylpropan-2-yl)-1-methyl-1-(3-methylbutyl)urea?
3-(1-imidazol-1-yl-2-methylpropan-2-yl)-1-methyl-1-(3-methylbutyl)urea has a molecular weight of 266.39 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-imidazol-1-yl-2-methylpropan-2-yl)-1-methyl-1-(3-methylbutyl)urea is sourced from PubChem (CID 20673455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).