2-oxo-N-propan-2-yl-1,3-dihydroimidazole-4-carboxamide

C7H11N3O2 — CID 23629749

IUPAC2-oxo-N-propan-2-yl-1,3-dihydroimidazole-4-carboxamide
SMILESCC(C)NC(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C7H11N3O2/c1-4(2)9-6(11)5-3-8-7(12)10-5/h3-4H,1-2H3,(H,9,11)(H2,8,10,12)
InChIKeyTUDFPZQHIWNKTA-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.16
Rot. Bonds2

About 2-oxo-N-propan-2-yl-1,3-dihydroimidazole-4-carboxamide

2-oxo-N-propan-2-yl-1,3-dihydroimidazole-4-carboxamide (PubChem CID 23629749) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-oxo-N-propan-2-yl-1,3-dihydroimidazole-4-carboxamide.

Molecular Properties

Compound Name2-oxo-N-propan-2-yl-1,3-dihydroimidazole-4-carboxamide
PubChem CID23629749
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name2-oxo-N-propan-2-yl-1,3-dihydroimidazole-4-carboxamide
SMILESCC(C)NC(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C7H11N3O2/c1-4(2)9-6(11)5-3-8-7(12)10-5/h3-4H,1-2H3,(H,9,11)(H2,8,10,12)
InChIKeyTUDFPZQHIWNKTA-UHFFFAOYSA-N
XLogP-0.16
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-propan-2-yl-1,3-dihydroimidazole-4-carboxamide?
The IUPAC name of 2-oxo-N-propan-2-yl-1,3-dihydroimidazole-4-carboxamide (CID 23629749) is 2-oxo-N-propan-2-yl-1,3-dihydroimidazole-4-carboxamide.
What is the SMILES notation for 2-oxo-N-propan-2-yl-1,3-dihydroimidazole-4-carboxamide?
The canonical SMILES for 2-oxo-N-propan-2-yl-1,3-dihydroimidazole-4-carboxamide is CC(C)NC(=O)c1c[nH]c(=O)[nH]1.
What is the InChIKey of 2-oxo-N-propan-2-yl-1,3-dihydroimidazole-4-carboxamide?
The InChIKey is TUDFPZQHIWNKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-4(2)9-6(11)5-3-8-7(12)10-5/h3-4H,1-2H3,(H,9,11)(H2,8,10,12).
What are the key properties of 2-oxo-N-propan-2-yl-1,3-dihydroimidazole-4-carboxamide?
2-oxo-N-propan-2-yl-1,3-dihydroimidazole-4-carboxamide has a molecular weight of 169.18 g/mol, XLogP of -0.16, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-propan-2-yl-1,3-dihydroimidazole-4-carboxamide is sourced from PubChem (CID 23629749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).