N-[2-(2-ethyl-4,5-dihydroimidazol-1-yl)ethyl]propanamide

C10H19N3O — CID 126493196

IUPACN-[2-(2-ethyl-4,5-dihydroimidazol-1-yl)ethyl]propanamide
SMILESCCC(=O)NCCN1CCN=C1CC
InChIInChI=1S/C10H19N3O/c1-3-9-11-5-7-13(9)8-6-12-10(14)4-2/h3-8H2,1-2H3,(H,12,14)
InChIKeyBOOMIKMWEZWXHJ-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.64
Rot. Bonds5

About N-[2-(2-ethyl-4,5-dihydroimidazol-1-yl)ethyl]propanamide

N-[2-(2-ethyl-4,5-dihydroimidazol-1-yl)ethyl]propanamide (PubChem CID 126493196) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is N-[2-(2-ethyl-4,5-dihydroimidazol-1-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(2-ethyl-4,5-dihydroimidazol-1-yl)ethyl]propanamide
PubChem CID126493196
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC NameN-[2-(2-ethyl-4,5-dihydroimidazol-1-yl)ethyl]propanamide
SMILESCCC(=O)NCCN1CCN=C1CC
InChIInChI=1S/C10H19N3O/c1-3-9-11-5-7-13(9)8-6-12-10(14)4-2/h3-8H2,1-2H3,(H,12,14)
InChIKeyBOOMIKMWEZWXHJ-UHFFFAOYSA-N
XLogP0.64
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethyl]acetamide
CID 20693624
5-Diethylamino-2,3,6,7-tetrahydro-1h-1,4-diazepin-7-one
CID 14225749
N-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethyl]-3-oxobutanamide
CID 296331
(4R)-1,4-dimethyl-2-[3-(methylamino)propyl]-4H-imidazol-5-one
CID 10487713
(2R)-2-(3,4-dihydro-2H-pyrrol-5-ylamino)-N-methylpropanamide
CID 10511338
N-[2-(2,3-dimethyl-4,5-dihydroimidazol-3-ium-1-yl)ethyl]acetamide
CID 18717500
N-[2-(2-heptadeca-1,3,5,7,9,11,13,15-octaynyl-4,5-dihydroimidazol-1-yl)ethyl]propanamide
CID 20627058
N-[2-(1,2-dimethyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]acetamide
CID 20748345
N-[2-(1,2-dimethyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]hexacosa-2,4,6,8,10,12,14,16,18,20,22,24-dodecaynamide
CID 20748346
N-[2-(1,2-dimethyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]pentacosa-2,4,6,8,10,12,14,16,18,20,22,24-dodecaynamide
CID 20748348
N-[2-(1,2-dimethyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]tricosa-2,4,6,8,10,12,14,16,18,20,22-undecaynamide
CID 20748349
N-[2-(1-ethyl-2,5-dimethyl-4,5-dihydroimidazol-1-ium-1-yl)propyl]docosa-2,4,6,8,10,12,14,16,18,20-decaynamide
CID 20748350

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethyl-4,5-dihydroimidazol-1-yl)ethyl]propanamide?
The IUPAC name of N-[2-(2-ethyl-4,5-dihydroimidazol-1-yl)ethyl]propanamide (CID 126493196) is N-[2-(2-ethyl-4,5-dihydroimidazol-1-yl)ethyl]propanamide.
What is the SMILES notation for N-[2-(2-ethyl-4,5-dihydroimidazol-1-yl)ethyl]propanamide?
The canonical SMILES for N-[2-(2-ethyl-4,5-dihydroimidazol-1-yl)ethyl]propanamide is CCC(=O)NCCN1CCN=C1CC.
What is the InChIKey of N-[2-(2-ethyl-4,5-dihydroimidazol-1-yl)ethyl]propanamide?
The InChIKey is BOOMIKMWEZWXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-3-9-11-5-7-13(9)8-6-12-10(14)4-2/h3-8H2,1-2H3,(H,12,14).
What are the key properties of N-[2-(2-ethyl-4,5-dihydroimidazol-1-yl)ethyl]propanamide?
N-[2-(2-ethyl-4,5-dihydroimidazol-1-yl)ethyl]propanamide has a molecular weight of 197.28 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethyl-4,5-dihydroimidazol-1-yl)ethyl]propanamide is sourced from PubChem (CID 126493196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).