N-(3-ethyl-2-hydroxypentyl)-1-methylimidazole-4-carboxamide

C12H21N3O2 — CID 103803885

IUPACN-(3-ethyl-2-hydroxypentyl)-1-methylimidazole-4-carboxamide
SMILESCCC(CC)C(O)CNC(=O)c1cn(C)cn1
InChIInChI=1S/C12H21N3O2/c1-4-9(5-2)11(16)6-13-12(17)10-7-15(3)8-14-10/h7-9,11,16H,4-6H2,1-3H3,(H,13,17)
InChIKeyMJBJUWVWOAQMCH-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.95
Rot. Bonds6

About N-(3-ethyl-2-hydroxypentyl)-1-methylimidazole-4-carboxamide

N-(3-ethyl-2-hydroxypentyl)-1-methylimidazole-4-carboxamide (PubChem CID 103803885) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(3-ethyl-2-hydroxypentyl)-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethyl-2-hydroxypentyl)-1-methylimidazole-4-carboxamide
PubChem CID103803885
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-(3-ethyl-2-hydroxypentyl)-1-methylimidazole-4-carboxamide
SMILESCCC(CC)C(O)CNC(=O)c1cn(C)cn1
InChIInChI=1S/C12H21N3O2/c1-4-9(5-2)11(16)6-13-12(17)10-7-15(3)8-14-10/h7-9,11,16H,4-6H2,1-3H3,(H,13,17)
InChIKeyMJBJUWVWOAQMCH-UHFFFAOYSA-N
XLogP0.95
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-carboxamide
CID 103860044
N-(2,2-diethoxyethyl)-1-methylimidazole-4-carboxamide
CID 107972296
N-[2-(2-hydroxypropylamino)ethyl]-1-methylimidazole-4-carboxamide
CID 107973596
N-(3-ethyl-2-hydroxypentyl)-5-methylpyrazine-2-carboxamide
CID 103658212
1-ethyl-N-(3-ethyl-2-hydroxypentyl)-6-oxopyridazine-3-carboxamide
CID 111115815
N-(3-ethyl-2-hydroxypentyl)-2-methylpyrazole-3-carboxamide
CID 103658436
N-(3-ethyl-2-hydroxypentyl)-3-methylimidazole-4-carboxamide
CID 107261964
1-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]imidazole-4-carboxamide
CID 97020056
N-(cyclopropylmethyl)-1-methylimidazole-4-carboxamide
CID 130626722
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-1-methylimidazole-4-carboxamide
CID 107975383
N-(3-chloro-2,2-dimethylpropyl)-1-methylimidazole-4-carboxamide
CID 107975187
N-(3-ethyl-2-hydroxypentyl)-1-methyl-6-oxopyridine-3-carboxamide
CID 111115756

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-hydroxypentyl)-1-methylimidazole-4-carboxamide?
The IUPAC name of N-(3-ethyl-2-hydroxypentyl)-1-methylimidazole-4-carboxamide (CID 103803885) is N-(3-ethyl-2-hydroxypentyl)-1-methylimidazole-4-carboxamide.
What is the SMILES notation for N-(3-ethyl-2-hydroxypentyl)-1-methylimidazole-4-carboxamide?
The canonical SMILES for N-(3-ethyl-2-hydroxypentyl)-1-methylimidazole-4-carboxamide is CCC(CC)C(O)CNC(=O)c1cn(C)cn1.
What is the InChIKey of N-(3-ethyl-2-hydroxypentyl)-1-methylimidazole-4-carboxamide?
The InChIKey is MJBJUWVWOAQMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-4-9(5-2)11(16)6-13-12(17)10-7-15(3)8-14-10/h7-9,11,16H,4-6H2,1-3H3,(H,13,17).
What are the key properties of N-(3-ethyl-2-hydroxypentyl)-1-methylimidazole-4-carboxamide?
N-(3-ethyl-2-hydroxypentyl)-1-methylimidazole-4-carboxamide has a molecular weight of 239.32 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-hydroxypentyl)-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 103803885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).