N,N-bis(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide

C8H13N3O4 — CID 61235256

IUPACN,N-bis(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESO=C(c1c[nH]c(=O)[nH]1)N(CCO)CCO
InChIInChI=1S/C8H13N3O4/c12-3-1-11(2-4-13)7(14)6-5-9-8(15)10-6/h5,12-13H,1-4H2,(H2,9,10,15)
InChIKeyNHCMBMWROSBIDP-UHFFFAOYSA-N
MW215.21 g/mol
LogP-1.87
Rot. Bonds5

About N,N-bis(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide

N,N-bis(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide (PubChem CID 61235256) has the molecular formula C8H13N3O4 and a molecular weight of 215.21 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
PubChem CID61235256
Molecular FormulaC8H13N3O4
Molecular Weight215.21 g/mol
Exact Mass215.09
IUPAC NameN,N-bis(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESO=C(c1c[nH]c(=O)[nH]1)N(CCO)CCO
InChIInChI=1S/C8H13N3O4/c12-3-1-11(2-4-13)7(14)6-5-9-8(15)10-6/h5,12-13H,1-4H2,(H2,9,10,15)
InChIKeyNHCMBMWROSBIDP-UHFFFAOYSA-N
XLogP-1.87
TPSA109.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 5-1.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide (CID 61235256) is N,N-bis(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide is O=C(c1c[nH]c(=O)[nH]1)N(CCO)CCO.
What is the InChIKey of N,N-bis(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The InChIKey is NHCMBMWROSBIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O4/c12-3-1-11(2-4-13)7(14)6-5-9-8(15)10-6/h5,12-13H,1-4H2,(H2,9,10,15).
What are the key properties of N,N-bis(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
N,N-bis(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide has a molecular weight of 215.21 g/mol, XLogP of -1.87, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide is sourced from PubChem (CID 61235256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).