2-cyclopropyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-hydroxyacetamide

C16H19N3O2 — CID 166244572

IUPAC2-cyclopropyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-hydroxyacetamide
SMILESCc1ncn(-c2ccc(NC(=O)C(O)C3CC3)cc2)c1C
InChIInChI=1S/C16H19N3O2/c1-10-11(2)19(9-17-10)14-7-5-13(6-8-14)18-16(21)15(20)12-3-4-12/h5-9,12,15,20H,3-4H2,1-2H3,(H,18,21)
InChIKeyQQYIILCSRNGLGH-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.20
Rot. Bonds4

About 2-cyclopropyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-hydroxyacetamide

2-cyclopropyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-hydroxyacetamide (PubChem CID 166244572) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-cyclopropyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-hydroxyacetamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-hydroxyacetamide
PubChem CID166244572
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-cyclopropyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-hydroxyacetamide
SMILESCc1ncn(-c2ccc(NC(=O)C(O)C3CC3)cc2)c1C
InChIInChI=1S/C16H19N3O2/c1-10-11(2)19(9-17-10)14-7-5-13(6-8-14)18-16(21)15(20)12-3-4-12/h5-9,12,15,20H,3-4H2,1-2H3,(H,18,21)
InChIKeyQQYIILCSRNGLGH-UHFFFAOYSA-N
XLogP2.20
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2,3-dihydroxy-3-methylbutanamide
CID 166254454
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-methoxy-3-methylbutanamide
CID 166215873
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylbutanamide
CID 166215592
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(2-methoxyethoxy)propanamide
CID 166215727
2-acetamido-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]butanamide
CID 166248907
1-amino-3-(difluoromethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]cyclobutane-1-carboxamide
CID 166299186
5-cyclopropyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-methylpyrazole-3-carboxamide
CID 166215609
2-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]acetamide
CID 167866582
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-N',N'-dimethylpropanediamide
CID 166215428
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-4-methylsulfonylcyclohexane-1-carboxamide
CID 166251163
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 166215741
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-3-carboxamide
CID 166215679

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-hydroxyacetamide?
The IUPAC name of 2-cyclopropyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-hydroxyacetamide (CID 166244572) is 2-cyclopropyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-hydroxyacetamide.
What is the SMILES notation for 2-cyclopropyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-hydroxyacetamide?
The canonical SMILES for 2-cyclopropyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-hydroxyacetamide is Cc1ncn(-c2ccc(NC(=O)C(O)C3CC3)cc2)c1C.
What is the InChIKey of 2-cyclopropyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-hydroxyacetamide?
The InChIKey is QQYIILCSRNGLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-10-11(2)19(9-17-10)14-7-5-13(6-8-14)18-16(21)15(20)12-3-4-12/h5-9,12,15,20H,3-4H2,1-2H3,(H,18,21).
What are the key properties of 2-cyclopropyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-hydroxyacetamide?
2-cyclopropyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-hydroxyacetamide has a molecular weight of 285.35 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-hydroxyacetamide is sourced from PubChem (CID 166244572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).