N-hexyl-1,4,5-trimethylimidazole-2-carboxamide

C13H23N3O — CID 162398071

IUPACN-hexyl-1,4,5-trimethylimidazole-2-carboxamide
SMILESCCCCCCNC(=O)c1nc(C)c(C)n1C
InChIInChI=1S/C13H23N3O/c1-5-6-7-8-9-14-13(17)12-15-10(2)11(3)16(12)4/h5-9H2,1-4H3,(H,14,17)
InChIKeyYUVLEFINFCWARY-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.35
Rot. Bonds6

About N-hexyl-1,4,5-trimethylimidazole-2-carboxamide

N-hexyl-1,4,5-trimethylimidazole-2-carboxamide (PubChem CID 162398071) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-hexyl-1,4,5-trimethylimidazole-2-carboxamide.

Molecular Properties

Compound NameN-hexyl-1,4,5-trimethylimidazole-2-carboxamide
PubChem CID162398071
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-hexyl-1,4,5-trimethylimidazole-2-carboxamide
SMILESCCCCCCNC(=O)c1nc(C)c(C)n1C
InChIInChI=1S/C13H23N3O/c1-5-6-7-8-9-14-13(17)12-15-10(2)11(3)16(12)4/h5-9H2,1-4H3,(H,14,17)
InChIKeyYUVLEFINFCWARY-UHFFFAOYSA-N
XLogP2.35
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-acetamido-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]pentanamide
CID 100066644
1-Methyl-4-[(1,4,5-trimethylimidazol-2-yl)methyl]piperazin-2-one
CID 129612273
2-methyl-1-[(3S)-3-[(1,4,5-trimethylimidazol-2-yl)methylamino]piperidin-1-yl]propan-1-one
CID 164633411
1,4-dimethyl-N-pentylimidazole-2-carboxamide
CID 135017929
2-(4,5-dimethylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 115616733
2-(4,5-dimethylimidazol-1-yl)-N,N-dipropylacetamide
CID 19964980
5-chloro-N,1-diethyl-4-methylimidazole-2-carboxamide;hydrochloride
CID 20240729
1-t-Butylmethylaminocarbonylmethyl-4-methyl-5-aminomethylimidazole
CID 21224543
4-(4,5-dimethylimidazol-1-yl)-N-propylbutanamide
CID 53688803
2-(4,5-dimethylimidazol-1-yl)-N-propan-2-ylacetamide
CID 53776483
ethane;N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)acetamide
CID 53788189
N-[(2,4,5-trimethylimidazol-1-yl)methyl]acetamide
CID 53933903

Frequently Asked Questions

What is the IUPAC name of N-hexyl-1,4,5-trimethylimidazole-2-carboxamide?
The IUPAC name of N-hexyl-1,4,5-trimethylimidazole-2-carboxamide (CID 162398071) is N-hexyl-1,4,5-trimethylimidazole-2-carboxamide.
What is the SMILES notation for N-hexyl-1,4,5-trimethylimidazole-2-carboxamide?
The canonical SMILES for N-hexyl-1,4,5-trimethylimidazole-2-carboxamide is CCCCCCNC(=O)c1nc(C)c(C)n1C.
What is the InChIKey of N-hexyl-1,4,5-trimethylimidazole-2-carboxamide?
The InChIKey is YUVLEFINFCWARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-5-6-7-8-9-14-13(17)12-15-10(2)11(3)16(12)4/h5-9H2,1-4H3,(H,14,17).
What are the key properties of N-hexyl-1,4,5-trimethylimidazole-2-carboxamide?
N-hexyl-1,4,5-trimethylimidazole-2-carboxamide has a molecular weight of 237.35 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-1,4,5-trimethylimidazole-2-carboxamide is sourced from PubChem (CID 162398071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).