1-[(2R)-1-hydroxypropan-2-yl]-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea

C12H22N4O2 — CID 95965670

IUPAC1-[(2R)-1-hydroxypropan-2-yl]-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea
SMILESCC(C)Cn1ccnc1CNC(=O)N[C@H](C)CO
InChIInChI=1S/C12H22N4O2/c1-9(2)7-16-5-4-13-11(16)6-14-12(18)15-10(3)8-17/h4-5,9-10,17H,6-8H2,1-3H3,(H2,14,15,18)/t10-/m1/s1
InChIKeyPAQLYKGPEXJMHX-SNVBAGLBSA-N
MW254.33 g/mol
LogP0.72
Rot. Bonds6

About 1-[(2R)-1-hydroxypropan-2-yl]-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea

1-[(2R)-1-hydroxypropan-2-yl]-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea (PubChem CID 95965670) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-[(2R)-1-hydroxypropan-2-yl]-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea.

Molecular Properties

Compound Name1-[(2R)-1-hydroxypropan-2-yl]-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea
PubChem CID95965670
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name1-[(2R)-1-hydroxypropan-2-yl]-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea
SMILESCC(C)Cn1ccnc1CNC(=O)N[C@H](C)CO
InChIInChI=1S/C12H22N4O2/c1-9(2)7-16-5-4-13-11(16)6-14-12(18)15-10(3)8-17/h4-5,9-10,17H,6-8H2,1-3H3,(H2,14,15,18)/t10-/m1/s1
InChIKeyPAQLYKGPEXJMHX-SNVBAGLBSA-N
XLogP0.72
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-hydroxy-2,2-dimethylbutyl)-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea
CID 111507230
3-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]propanamide
CID 119892665
1-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119892622
1-(2-tert-butylpyrimidin-5-yl)-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea
CID 71926143
4-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]butanamide
CID 119892667
4-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]pentanamide;dihydrochloride
CID 120565762
1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea
CID 84586574
1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-(oxan-3-yl)urea
CID 75423072
2-methyl-1-(5-methylhexan-2-yl)-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide
CID 111773379
1-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea
CID 71870305
2-methyl-1-(2-methylpropyl)-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine
CID 111772918
(2R)-2-[(1-ethylimidazol-2-yl)methylamino]propan-1-ol
CID 114985494

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-hydroxypropan-2-yl]-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea?
The IUPAC name of 1-[(2R)-1-hydroxypropan-2-yl]-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea (CID 95965670) is 1-[(2R)-1-hydroxypropan-2-yl]-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea.
What is the SMILES notation for 1-[(2R)-1-hydroxypropan-2-yl]-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea?
The canonical SMILES for 1-[(2R)-1-hydroxypropan-2-yl]-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea is CC(C)Cn1ccnc1CNC(=O)N[C@H](C)CO.
What is the InChIKey of 1-[(2R)-1-hydroxypropan-2-yl]-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea?
The InChIKey is PAQLYKGPEXJMHX-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-9(2)7-16-5-4-13-11(16)6-14-12(18)15-10(3)8-17/h4-5,9-10,17H,6-8H2,1-3H3,(H2,14,15,18)/t10-/m1/s1.
What are the key properties of 1-[(2R)-1-hydroxypropan-2-yl]-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea?
1-[(2R)-1-hydroxypropan-2-yl]-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea has a molecular weight of 254.33 g/mol, XLogP of 0.72, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-hydroxypropan-2-yl]-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea is sourced from PubChem (CID 95965670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).