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

C10H17N3O3 — CID 61381648

IUPACN-butyl-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESCCCCN(CCO)C(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C10H17N3O3/c1-2-3-4-13(5-6-14)9(15)8-7-11-10(16)12-8/h7,14H,2-6H2,1H3,(H2,11,12,16)
InChIKeyVSUHYJYIENZEQQ-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.06
Rot. Bonds6

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

N-butyl-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide (PubChem CID 61381648) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is N-butyl-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide.

Molecular Properties

Compound NameN-butyl-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
PubChem CID61381648
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC NameN-butyl-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESCCCCN(CCO)C(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C10H17N3O3/c1-2-3-4-13(5-6-14)9(15)8-7-11-10(16)12-8/h7,14H,2-6H2,1H3,(H2,11,12,16)
InChIKeyVSUHYJYIENZEQQ-UHFFFAOYSA-N
XLogP-0.06
TPSA89.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The IUPAC name of N-butyl-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide (CID 61381648) is N-butyl-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide.
What is the SMILES notation for N-butyl-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The canonical SMILES for N-butyl-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide is CCCCN(CCO)C(=O)c1c[nH]c(=O)[nH]1.
What is the InChIKey of N-butyl-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The InChIKey is VSUHYJYIENZEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-2-3-4-13(5-6-14)9(15)8-7-11-10(16)12-8/h7,14H,2-6H2,1H3,(H2,11,12,16).
What are the key properties of N-butyl-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
N-butyl-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide has a molecular weight of 227.26 g/mol, XLogP of -0.06, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide is sourced from PubChem (CID 61381648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).