2-imidazol-1-yl-N-(methylcarbamoyl)propanamide

C8H12N4O2 — CID 60704182

IUPAC2-imidazol-1-yl-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)n1ccnc1
InChIInChI=1S/C8H12N4O2/c1-6(12-4-3-10-5-12)7(13)11-8(14)9-2/h3-6H,1-2H3,(H2,9,11,13,14)
InChIKeyKIKYKAFCFAQSQR-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.10
Rot. Bonds2

About 2-imidazol-1-yl-N-(methylcarbamoyl)propanamide

2-imidazol-1-yl-N-(methylcarbamoyl)propanamide (PubChem CID 60704182) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-imidazol-1-yl-N-(methylcarbamoyl)propanamide
PubChem CID60704182
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name2-imidazol-1-yl-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)n1ccnc1
InChIInChI=1S/C8H12N4O2/c1-6(12-4-3-10-5-12)7(13)11-8(14)9-2/h3-6H,1-2H3,(H2,9,11,13,14)
InChIKeyKIKYKAFCFAQSQR-UHFFFAOYSA-N
XLogP-0.10
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxypropan-2-yl)-2-imidazol-1-ylpropanamide
CID 174552130
2-imidazol-1-ylpropanoic acid
CID 16788764
N-cyclohexyl-2-imidazol-1-ylpropanamide
CID 46458376
(2R)-N-(cyclohexen-1-ylmethyl)-2-imidazol-1-ylpropanamide
CID 126449095
N-(4-cyanophenyl)-2-imidazol-1-ylpropanamide
CID 43176830
(2R)-N-ethyl-2-imidazol-1-yl-N-[2-(methylamino)-2-oxoethyl]propanamide
CID 94456522
carbonic acid;1-propan-2-ylimidazole
CID 175084414
N-(4-amino-2,6-dichlorophenyl)-2-imidazol-1-ylpropanamide
CID 16787449
2-imidazol-1-yl-N-[3-(triazol-1-yl)propyl]propanamide
CID 119069659
2-imidazol-1-yl-1-phenylpropan-1-one
CID 13282605
2-imidazol-1-yl-N-[1-(4-methylsulfanylphenyl)ethyl]propanamide
CID 47284474
N-[2-(2-bromophenyl)ethyl]-2-imidazol-1-ylpropanamide
CID 49052603

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-imidazol-1-yl-N-(methylcarbamoyl)propanamide (CID 60704182) is 2-imidazol-1-yl-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-imidazol-1-yl-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-imidazol-1-yl-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(C)n1ccnc1.
What is the InChIKey of 2-imidazol-1-yl-N-(methylcarbamoyl)propanamide?
The InChIKey is KIKYKAFCFAQSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-6(12-4-3-10-5-12)7(13)11-8(14)9-2/h3-6H,1-2H3,(H2,9,11,13,14).
What are the key properties of 2-imidazol-1-yl-N-(methylcarbamoyl)propanamide?
2-imidazol-1-yl-N-(methylcarbamoyl)propanamide has a molecular weight of 196.21 g/mol, XLogP of -0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 60704182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).