2-(2-oxo-1,3-dihydroimidazol-4-yl)-N-propylacetamide

C8H13N3O2 — CID 23629708

IUPAC2-(2-oxo-1,3-dihydroimidazol-4-yl)-N-propylacetamide
SMILESCCCNC(=O)Cc1c[nH]c(=O)[nH]1
InChIInChI=1S/C8H13N3O2/c1-2-3-9-7(12)4-6-5-10-8(13)11-6/h5H,2-4H2,1H3,(H,9,12)(H2,10,11,13)
InChIKeyPTMQXGNDMQZUBX-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.23
Rot. Bonds4

About 2-(2-oxo-1,3-dihydroimidazol-4-yl)-N-propylacetamide

2-(2-oxo-1,3-dihydroimidazol-4-yl)-N-propylacetamide (PubChem CID 23629708) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-(2-oxo-1,3-dihydroimidazol-4-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(2-oxo-1,3-dihydroimidazol-4-yl)-N-propylacetamide
PubChem CID23629708
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-(2-oxo-1,3-dihydroimidazol-4-yl)-N-propylacetamide
SMILESCCCNC(=O)Cc1c[nH]c(=O)[nH]1
InChIInChI=1S/C8H13N3O2/c1-2-3-9-7(12)4-6-5-10-8(13)11-6/h5H,2-4H2,1H3,(H,9,12)(H2,10,11,13)
InChIKeyPTMQXGNDMQZUBX-UHFFFAOYSA-N
XLogP-0.23
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-oxo-3-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]acetamide
CID 71019089
2-[2-oxo-3-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]propanamide
CID 71019097
2-[3-(2-fluoroethyl)-2-oxo-1H-imidazol-5-yl]acetamide
CID 89193221
4-(2-Oxopropyl)-1,3-dihydroimidazol-2-one
CID 68390283
2-[3-(3-methylbutyl)-2-oxo-1H-imidazol-5-yl]propanamide
CID 71019090
2-[3-(3-methylbutyl)-2-oxo-1H-imidazol-5-yl]acetamide
CID 71019100
N-(3-acetamidobut-3-enyl)acetamide
CID 139544160
N-[2-(3-ethyl-1,2-dihydroimidazol-5-yl)ethyl]acetamide
CID 142959961
N-[2-(3-methyl-1-propyl-2H-imidazol-4-yl)ethyl]acetamide
CID 142959966
N-ethyl-3-(ethylamino)but-3-enamide
CID 148931324
2-Methyl-1,2,3,4a,5,6-hexahydropyrrolo[3,4-d]pyrimidin-4-one
CID 164000537
(Z)-4-amino-3-[[carbamoyl(methyl)carbamoyl]amino]but-3-enamide
CID 164055200

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3-dihydroimidazol-4-yl)-N-propylacetamide?
The IUPAC name of 2-(2-oxo-1,3-dihydroimidazol-4-yl)-N-propylacetamide (CID 23629708) is 2-(2-oxo-1,3-dihydroimidazol-4-yl)-N-propylacetamide.
What is the SMILES notation for 2-(2-oxo-1,3-dihydroimidazol-4-yl)-N-propylacetamide?
The canonical SMILES for 2-(2-oxo-1,3-dihydroimidazol-4-yl)-N-propylacetamide is CCCNC(=O)Cc1c[nH]c(=O)[nH]1.
What is the InChIKey of 2-(2-oxo-1,3-dihydroimidazol-4-yl)-N-propylacetamide?
The InChIKey is PTMQXGNDMQZUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-2-3-9-7(12)4-6-5-10-8(13)11-6/h5H,2-4H2,1H3,(H,9,12)(H2,10,11,13).
What are the key properties of 2-(2-oxo-1,3-dihydroimidazol-4-yl)-N-propylacetamide?
2-(2-oxo-1,3-dihydroimidazol-4-yl)-N-propylacetamide has a molecular weight of 183.21 g/mol, XLogP of -0.23, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3-dihydroimidazol-4-yl)-N-propylacetamide is sourced from PubChem (CID 23629708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).