1-[(1-benzylimidazol-2-yl)methyl]-3-(2-hydroxy-2-methylpropyl)urea

C16H22N4O2 — CID 71867707

IUPAC1-[(1-benzylimidazol-2-yl)methyl]-3-(2-hydroxy-2-methylpropyl)urea
SMILESCC(C)(O)CNC(=O)NCc1nccn1Cc1ccccc1
InChIInChI=1S/C16H22N4O2/c1-16(2,22)12-19-15(21)18-10-14-17-8-9-20(14)11-13-6-4-3-5-7-13/h3-9,22H,10-12H2,1-2H3,(H2,18,19,21)
InChIKeyNIRKYKOVRFYFEE-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.50
Rot. Bonds6

About 1-[(1-benzylimidazol-2-yl)methyl]-3-(2-hydroxy-2-methylpropyl)urea

1-[(1-benzylimidazol-2-yl)methyl]-3-(2-hydroxy-2-methylpropyl)urea (PubChem CID 71867707) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-[(1-benzylimidazol-2-yl)methyl]-3-(2-hydroxy-2-methylpropyl)urea.

Molecular Properties

Compound Name1-[(1-benzylimidazol-2-yl)methyl]-3-(2-hydroxy-2-methylpropyl)urea
PubChem CID71867707
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name1-[(1-benzylimidazol-2-yl)methyl]-3-(2-hydroxy-2-methylpropyl)urea
SMILESCC(C)(O)CNC(=O)NCc1nccn1Cc1ccccc1
InChIInChI=1S/C16H22N4O2/c1-16(2,22)12-19-15(21)18-10-14-17-8-9-20(14)11-13-6-4-3-5-7-13/h3-9,22H,10-12H2,1-2H3,(H2,18,19,21)
InChIKeyNIRKYKOVRFYFEE-UHFFFAOYSA-N
XLogP1.50
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-benzylimidazol-2-yl)methyl]-3-[(2-methylphenyl)methyl]urea
CID 71869773
N-[(1-benzylimidazol-2-yl)methyl]-3-hydroxy-3-phenylbutanamide
CID 110025568
1-[(1-benzylimidazol-2-yl)methyl]-3-[2,6-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]urea
CID 130274616
1-[(1-benzylimidazol-2-yl)methylamino]-2,2-dimethylpropan-1-ol
CID 135256386
N-[(1-benzylimidazol-2-yl)methyl]ethanamine;hydrochloride
CID 45156296
N-[(1-benzylimidazol-2-yl)methyl]-2,4,4-trimethylpentan-2-amine
CID 60514774
3-(1-benzylimidazol-2-yl)-2-methylpropanoic acid
CID 84704499
N-[2-(1-benzylimidazol-2-yl)ethyl]acetamide;ethane
CID 144709422
N-[(1-benzylimidazol-2-yl)methyl]-2-methyl-6-azaspiro[2.5]octane-2-carboxamide;dihydrochloride
CID 154921156
N-[(1-benzylimidazol-2-yl)methyl]-1-ethyl-5-methylpyrazole-4-carboxamide
CID 50971928
N-[1-[2-(1-benzylimidazol-2-yl)ethylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 134039843
N'-[(1-benzylimidazol-2-yl)methyl]-N-[2-[(1-benzylimidazol-2-yl)methylamino]ethyl]ethane-1,2-diamine
CID 57206578

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzylimidazol-2-yl)methyl]-3-(2-hydroxy-2-methylpropyl)urea?
The IUPAC name of 1-[(1-benzylimidazol-2-yl)methyl]-3-(2-hydroxy-2-methylpropyl)urea (CID 71867707) is 1-[(1-benzylimidazol-2-yl)methyl]-3-(2-hydroxy-2-methylpropyl)urea.
What is the SMILES notation for 1-[(1-benzylimidazol-2-yl)methyl]-3-(2-hydroxy-2-methylpropyl)urea?
The canonical SMILES for 1-[(1-benzylimidazol-2-yl)methyl]-3-(2-hydroxy-2-methylpropyl)urea is CC(C)(O)CNC(=O)NCc1nccn1Cc1ccccc1.
What is the InChIKey of 1-[(1-benzylimidazol-2-yl)methyl]-3-(2-hydroxy-2-methylpropyl)urea?
The InChIKey is NIRKYKOVRFYFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-16(2,22)12-19-15(21)18-10-14-17-8-9-20(14)11-13-6-4-3-5-7-13/h3-9,22H,10-12H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-[(1-benzylimidazol-2-yl)methyl]-3-(2-hydroxy-2-methylpropyl)urea?
1-[(1-benzylimidazol-2-yl)methyl]-3-(2-hydroxy-2-methylpropyl)urea has a molecular weight of 302.38 g/mol, XLogP of 1.50, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzylimidazol-2-yl)methyl]-3-(2-hydroxy-2-methylpropyl)urea is sourced from PubChem (CID 71867707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).