1-(2-aminoethyl)-N-(2-ethyl-2-hydroxybutyl)imidazole-4-carboxamide

C12H22N4O2 — CID 107498968

IUPAC1-(2-aminoethyl)-N-(2-ethyl-2-hydroxybutyl)imidazole-4-carboxamide
SMILESCCC(O)(CC)CNC(=O)c1cn(CCN)cn1
InChIInChI=1S/C12H22N4O2/c1-3-12(18,4-2)8-14-11(17)10-7-16(6-5-13)9-15-10/h7,9,18H,3-6,8,13H2,1-2H3,(H,14,17)
InChIKeyOCOYUKMJAPFJAM-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.12
Rot. Bonds7

About 1-(2-aminoethyl)-N-(2-ethyl-2-hydroxybutyl)imidazole-4-carboxamide

1-(2-aminoethyl)-N-(2-ethyl-2-hydroxybutyl)imidazole-4-carboxamide (PubChem CID 107498968) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-(2-ethyl-2-hydroxybutyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-(2-ethyl-2-hydroxybutyl)imidazole-4-carboxamide
PubChem CID107498968
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name1-(2-aminoethyl)-N-(2-ethyl-2-hydroxybutyl)imidazole-4-carboxamide
SMILESCCC(O)(CC)CNC(=O)c1cn(CCN)cn1
InChIInChI=1S/C12H22N4O2/c1-3-12(18,4-2)8-14-11(17)10-7-16(6-5-13)9-15-10/h7,9,18H,3-6,8,13H2,1-2H3,(H,14,17)
InChIKeyOCOYUKMJAPFJAM-UHFFFAOYSA-N
XLogP0.12
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-(2-ethyl-2-hydroxybutyl)imidazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-(2-ethyl-2-hydroxybutyl)imidazole-4-carboxamide (CID 107498968) is 1-(2-aminoethyl)-N-(2-ethyl-2-hydroxybutyl)imidazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-(2-ethyl-2-hydroxybutyl)imidazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-(2-ethyl-2-hydroxybutyl)imidazole-4-carboxamide is CCC(O)(CC)CNC(=O)c1cn(CCN)cn1.
What is the InChIKey of 1-(2-aminoethyl)-N-(2-ethyl-2-hydroxybutyl)imidazole-4-carboxamide?
The InChIKey is OCOYUKMJAPFJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-3-12(18,4-2)8-14-11(17)10-7-16(6-5-13)9-15-10/h7,9,18H,3-6,8,13H2,1-2H3,(H,14,17).
What are the key properties of 1-(2-aminoethyl)-N-(2-ethyl-2-hydroxybutyl)imidazole-4-carboxamide?
1-(2-aminoethyl)-N-(2-ethyl-2-hydroxybutyl)imidazole-4-carboxamide has a molecular weight of 254.33 g/mol, XLogP of 0.12, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-(2-ethyl-2-hydroxybutyl)imidazole-4-carboxamide is sourced from PubChem (CID 107498968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).