2-ethyl-N-propylimidazole-1-carboxamide

C9H15N3O — CID 166451160

IUPAC2-ethyl-N-propylimidazole-1-carboxamide
SMILESCCCNC(=O)n1ccnc1CC
InChIInChI=1S/C9H15N3O/c1-3-5-11-9(13)12-7-6-10-8(12)4-2/h6-7H,3-5H2,1-2H3,(H,11,13)
InChIKeyPWFUGTJHCRFAIA-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.41
Rot. Bonds3

About 2-ethyl-N-propylimidazole-1-carboxamide

2-ethyl-N-propylimidazole-1-carboxamide (PubChem CID 166451160) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-ethyl-N-propylimidazole-1-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-propylimidazole-1-carboxamide
PubChem CID166451160
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-ethyl-N-propylimidazole-1-carboxamide
SMILESCCCNC(=O)n1ccnc1CC
InChIInChI=1S/C9H15N3O/c1-3-5-11-9(13)12-7-6-10-8(12)4-2/h6-7H,3-5H2,1-2H3,(H,11,13)
InChIKeyPWFUGTJHCRFAIA-UHFFFAOYSA-N
XLogP1.41
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-propylimidazole-1-carboxamide?
The IUPAC name of 2-ethyl-N-propylimidazole-1-carboxamide (CID 166451160) is 2-ethyl-N-propylimidazole-1-carboxamide.
What is the SMILES notation for 2-ethyl-N-propylimidazole-1-carboxamide?
The canonical SMILES for 2-ethyl-N-propylimidazole-1-carboxamide is CCCNC(=O)n1ccnc1CC.
What is the InChIKey of 2-ethyl-N-propylimidazole-1-carboxamide?
The InChIKey is PWFUGTJHCRFAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-3-5-11-9(13)12-7-6-10-8(12)4-2/h6-7H,3-5H2,1-2H3,(H,11,13).
What are the key properties of 2-ethyl-N-propylimidazole-1-carboxamide?
2-ethyl-N-propylimidazole-1-carboxamide has a molecular weight of 181.24 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-propylimidazole-1-carboxamide is sourced from PubChem (CID 166451160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).