1-(2-ethylhexyl)imidazole-2-carboxamide

C12H21N3O — CID 70128665

IUPAC1-(2-ethylhexyl)imidazole-2-carboxamide
SMILESCCCCC(CC)Cn1ccnc1C(N)=O
InChIInChI=1S/C12H21N3O/c1-3-5-6-10(4-2)9-15-8-7-14-12(15)11(13)16/h7-8,10H,3-6,9H2,1-2H3,(H2,13,16)
InChIKeyIDPSWWJELYYLRS-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.20
Rot. Bonds7

About 1-(2-ethylhexyl)imidazole-2-carboxamide

1-(2-ethylhexyl)imidazole-2-carboxamide (PubChem CID 70128665) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(2-ethylhexyl)imidazole-2-carboxamide.

Molecular Properties

Compound Name1-(2-ethylhexyl)imidazole-2-carboxamide
PubChem CID70128665
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-(2-ethylhexyl)imidazole-2-carboxamide
SMILESCCCCC(CC)Cn1ccnc1C(N)=O
InChIInChI=1S/C12H21N3O/c1-3-5-6-10(4-2)9-15-8-7-14-12(15)11(13)16/h7-8,10H,3-6,9H2,1-2H3,(H2,13,16)
InChIKeyIDPSWWJELYYLRS-UHFFFAOYSA-N
XLogP2.20
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-ethylhexyl)imidazol-2-yl]sulfanylacetic acid
CID 114004311
1-(3-hydroxypropyl)imidazole-2-carboxamide
CID 173085384
[1-(2-ethylhexyl)pyrrol-2-yl]methanol
CID 66397815
2-(2-ethylhexyl)pyridine-3-carboxamide
CID 71001872
methyl 1-(2-ethylhexyl)-1,2,4-triazole-3-carboxylate
CID 78955709
1-(2-ethylhexyl)-3-hydroxypyridin-2-one
CID 151678015
1-[3-(1-methoxybutan-2-ylamino)propyl]imidazole-2-carboxamide
CID 173085160
methyl 1-butylimidazole-2-carboxylate
CID 137346516
1-(2-ethylhexyl)-N'-hydroxy-2-oxopyridine-3-carboximidamide
CID 107017959
1-(2-ethylhexyl)triazole-4-carboxylic acid
CID 62060083
3-(2-ethylhexyl)benzimidazole-5-carboxylic acid
CID 107817484
3-(2-ethylhexyl)-2-methylimidazole-4-carboxylic acid
CID 65172481

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylhexyl)imidazole-2-carboxamide?
The IUPAC name of 1-(2-ethylhexyl)imidazole-2-carboxamide (CID 70128665) is 1-(2-ethylhexyl)imidazole-2-carboxamide.
What is the SMILES notation for 1-(2-ethylhexyl)imidazole-2-carboxamide?
The canonical SMILES for 1-(2-ethylhexyl)imidazole-2-carboxamide is CCCCC(CC)Cn1ccnc1C(N)=O.
What is the InChIKey of 1-(2-ethylhexyl)imidazole-2-carboxamide?
The InChIKey is IDPSWWJELYYLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-5-6-10(4-2)9-15-8-7-14-12(15)11(13)16/h7-8,10H,3-6,9H2,1-2H3,(H2,13,16).
What are the key properties of 1-(2-ethylhexyl)imidazole-2-carboxamide?
1-(2-ethylhexyl)imidazole-2-carboxamide has a molecular weight of 223.32 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylhexyl)imidazole-2-carboxamide is sourced from PubChem (CID 70128665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).