N-methyl-N-propylimidazole-1-carboxamide

C8H13N3O — CID 78983424

IUPACN-methyl-N-propylimidazole-1-carboxamide
SMILESCCCN(C)C(=O)n1ccnc1
InChIInChI=1S/C8H13N3O/c1-3-5-10(2)8(12)11-6-4-9-7-11/h4,6-7H,3,5H2,1-2H3
InChIKeyJDBIZQLADCSMOW-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.19
Rot. Bonds2

About N-methyl-N-propylimidazole-1-carboxamide

N-methyl-N-propylimidazole-1-carboxamide (PubChem CID 78983424) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is N-methyl-N-propylimidazole-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-propylimidazole-1-carboxamide
PubChem CID78983424
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC NameN-methyl-N-propylimidazole-1-carboxamide
SMILESCCCN(C)C(=O)n1ccnc1
InChIInChI=1S/C8H13N3O/c1-3-5-10(2)8(12)11-6-4-9-7-11/h4,6-7H,3,5H2,1-2H3
InChIKeyJDBIZQLADCSMOW-UHFFFAOYSA-N
XLogP1.19
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(1,3-thiazol-4-ylmethyl)imidazole-1-carboxamide
CID 78973053
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylimidazole-1-carboxamide
CID 112723531
N,N-bis(2-ethoxyethyl)imidazole-1-carboxamide
CID 82961251
N-[(4-ethoxyphenyl)methyl]-N-methylimidazole-1-carboxamide
CID 112722731
N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)imidazole-1-carboxamide
CID 81257585
N-acetyl-N-(2-hydroxyethyl)imidazole-1-carboxamide
CID 54364039
N-methyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide
CID 13044632
N-methyl-N-(thiophen-3-ylmethyl)imidazole-1-carboxamide
CID 112723515
N-[(2,4-difluorophenyl)methyl]-N-methylimidazole-1-carboxamide
CID 113221540
N-[(2,3-dichlorophenyl)methyl]-N-methylimidazole-1-carboxamide
CID 112722736
N-cyclopentyl-N-methylimidazole-1-carboxamide
CID 112723542
N-benzyl-N-[2-(dimethylamino)ethyl]imidazole-1-carboxamide
CID 81257866

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propylimidazole-1-carboxamide?
The IUPAC name of N-methyl-N-propylimidazole-1-carboxamide (CID 78983424) is N-methyl-N-propylimidazole-1-carboxamide.
What is the SMILES notation for N-methyl-N-propylimidazole-1-carboxamide?
The canonical SMILES for N-methyl-N-propylimidazole-1-carboxamide is CCCN(C)C(=O)n1ccnc1.
What is the InChIKey of N-methyl-N-propylimidazole-1-carboxamide?
The InChIKey is JDBIZQLADCSMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-3-5-10(2)8(12)11-6-4-9-7-11/h4,6-7H,3,5H2,1-2H3.
What are the key properties of N-methyl-N-propylimidazole-1-carboxamide?
N-methyl-N-propylimidazole-1-carboxamide has a molecular weight of 167.21 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propylimidazole-1-carboxamide is sourced from PubChem (CID 78983424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).