2-[5-amino-3-(cyclopropylmethyl)-2-oxo-4H-imidazol-4-yl]-N-propan-2-ylacetamide

C12H20N4O2 — CID 79985478

IUPAC2-[5-amino-3-(cyclopropylmethyl)-2-oxo-4H-imidazol-4-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CC1C(N)=NC(=O)N1CC1CC1
InChIInChI=1S/C12H20N4O2/c1-7(2)14-10(17)5-9-11(13)15-12(18)16(9)6-8-3-4-8/h7-9H,3-6H2,1-2H3,(H,14,17)(H2,13,15,18)
InChIKeyNGOLCSIVFRKJRI-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.47
Rot. Bonds5

About 2-[5-amino-3-(cyclopropylmethyl)-2-oxo-4H-imidazol-4-yl]-N-propan-2-ylacetamide

2-[5-amino-3-(cyclopropylmethyl)-2-oxo-4H-imidazol-4-yl]-N-propan-2-ylacetamide (PubChem CID 79985478) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[5-amino-3-(cyclopropylmethyl)-2-oxo-4H-imidazol-4-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[5-amino-3-(cyclopropylmethyl)-2-oxo-4H-imidazol-4-yl]-N-propan-2-ylacetamide
PubChem CID79985478
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-[5-amino-3-(cyclopropylmethyl)-2-oxo-4H-imidazol-4-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CC1C(N)=NC(=O)N1CC1CC1
InChIInChI=1S/C12H20N4O2/c1-7(2)14-10(17)5-9-11(13)15-12(18)16(9)6-8-3-4-8/h7-9H,3-6H2,1-2H3,(H,14,17)(H2,13,15,18)
InChIKeyNGOLCSIVFRKJRI-UHFFFAOYSA-N
XLogP0.47
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-3-(cyclopropylmethyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)-4H-imidazol-2-one
CID 79985640
2-(4-aminocyclohexyl)-N-propan-2-ylacetamide
CID 62777737
2-(5-amino-2-oxo-3-prop-2-enyl-4H-imidazol-4-yl)-N-ethylacetamide
CID 79967782
2-[4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide
CID 110282708
2-(3-aminocyclohexyl)-N-propan-2-ylacetamide
CID 62777908
N-(cyclopropylmethyl)-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 43567877
5-amino-3-(cyclopropylmethyl)-4-(3,5-dimethoxyphenyl)-4H-imidazol-2-one
CID 79968318
N-propan-2-yl-2-(thian-4-yl)acetamide
CID 80708318
2-(1-ethylpiperidin-4-yl)-N-propan-2-ylacetamide
CID 177202345
2-(1,1-dioxothiolan-3-yl)-N-propan-2-ylacetamide
CID 171049196
2-(azetidin-3-yl)-N-propan-2-ylacetamide
CID 64616125
2-(1-ethylazetidin-3-yl)-N-propan-2-ylacetamide
CID 135224952

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-3-(cyclopropylmethyl)-2-oxo-4H-imidazol-4-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[5-amino-3-(cyclopropylmethyl)-2-oxo-4H-imidazol-4-yl]-N-propan-2-ylacetamide (CID 79985478) is 2-[5-amino-3-(cyclopropylmethyl)-2-oxo-4H-imidazol-4-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[5-amino-3-(cyclopropylmethyl)-2-oxo-4H-imidazol-4-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[5-amino-3-(cyclopropylmethyl)-2-oxo-4H-imidazol-4-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)CC1C(N)=NC(=O)N1CC1CC1.
What is the InChIKey of 2-[5-amino-3-(cyclopropylmethyl)-2-oxo-4H-imidazol-4-yl]-N-propan-2-ylacetamide?
The InChIKey is NGOLCSIVFRKJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-7(2)14-10(17)5-9-11(13)15-12(18)16(9)6-8-3-4-8/h7-9H,3-6H2,1-2H3,(H,14,17)(H2,13,15,18).
What are the key properties of 2-[5-amino-3-(cyclopropylmethyl)-2-oxo-4H-imidazol-4-yl]-N-propan-2-ylacetamide?
2-[5-amino-3-(cyclopropylmethyl)-2-oxo-4H-imidazol-4-yl]-N-propan-2-ylacetamide has a molecular weight of 252.32 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-3-(cyclopropylmethyl)-2-oxo-4H-imidazol-4-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 79985478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).