N-(1-hydroxypropan-2-yl)-N-methyl-1H-imidazole-5-carboxamide

C8H13N3O2 — CID 115869545

IUPACN-(1-hydroxypropan-2-yl)-N-methyl-1H-imidazole-5-carboxamide
SMILESCC(CO)N(C)C(=O)c1cnc[nH]1
InChIInChI=1S/C8H13N3O2/c1-6(4-12)11(2)8(13)7-3-9-5-10-7/h3,5-6,12H,4H2,1-2H3,(H,9,10)
InChIKeyKLSHTTKZECVVMU-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.14
Rot. Bonds3

About N-(1-hydroxypropan-2-yl)-N-methyl-1H-imidazole-5-carboxamide

N-(1-hydroxypropan-2-yl)-N-methyl-1H-imidazole-5-carboxamide (PubChem CID 115869545) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-N-methyl-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-N-methyl-1H-imidazole-5-carboxamide
PubChem CID115869545
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC NameN-(1-hydroxypropan-2-yl)-N-methyl-1H-imidazole-5-carboxamide
SMILESCC(CO)N(C)C(=O)c1cnc[nH]1
InChIInChI=1S/C8H13N3O2/c1-6(4-12)11(2)8(13)7-3-9-5-10-7/h3,5-6,12H,4H2,1-2H3,(H,9,10)
InChIKeyKLSHTTKZECVVMU-UHFFFAOYSA-N
XLogP-0.14
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxypropan-2-yl)-N-methyl-1H-pyrrole-2-carboxamide
CID 115765120
N-(2-hydroxynonan-3-yl)-N-methyl-1H-imidazole-5-carboxamide
CID 67144003
4-amino-N-(1-hydroxypropan-2-yl)-N-methylpyridine-3-carboxamide
CID 104554326
1-(1H-imidazol-5-yl)-2-methylpropan-1-one
CID 10197729
ethane;1-(1H-imidazol-5-yl)propan-1-one
CID 145105684
5-fluoro-N-(1-hydroxypropan-2-yl)-N-methylpyridine-3-carboxamide
CID 115869418
N-[(2R)-2-hydroxypropyl]-1H-imidazole-5-carboxamide
CID 83031870
N,N-dipentyl-1H-imidazole-5-carboxamide
CID 25129631
N,N-diethylethanamine;1H-imidazole-5-carboxamide
CID 68977310
N-(1-hydroxypropan-2-yl)-N-methylthiadiazole-5-carboxamide
CID 115765125
N-methyl-N-(pyridin-4-ylmethyl)-1H-imidazole-5-carboxamide
CID 123395094
N,N-diethyl-3-(1H-imidazol-5-yl)-3-oxopropanamide
CID 22925154

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-N-methyl-1H-imidazole-5-carboxamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-N-methyl-1H-imidazole-5-carboxamide (CID 115869545) is N-(1-hydroxypropan-2-yl)-N-methyl-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-N-methyl-1H-imidazole-5-carboxamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-N-methyl-1H-imidazole-5-carboxamide is CC(CO)N(C)C(=O)c1cnc[nH]1.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-N-methyl-1H-imidazole-5-carboxamide?
The InChIKey is KLSHTTKZECVVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-6(4-12)11(2)8(13)7-3-9-5-10-7/h3,5-6,12H,4H2,1-2H3,(H,9,10).
What are the key properties of N-(1-hydroxypropan-2-yl)-N-methyl-1H-imidazole-5-carboxamide?
N-(1-hydroxypropan-2-yl)-N-methyl-1H-imidazole-5-carboxamide has a molecular weight of 183.21 g/mol, XLogP of -0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-N-methyl-1H-imidazole-5-carboxamide is sourced from PubChem (CID 115869545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).