N-(2,2-dimethylpropyl)-5-(4-ethylpiperazine-1-carbonyl)-1H-imidazole-4-carboxamide

C16H27N5O2 — CID 46264373

IUPACN-(2,2-dimethylpropyl)-5-(4-ethylpiperazine-1-carbonyl)-1H-imidazole-4-carboxamide
SMILESCCN1CCN(C(=O)c2[nH]cnc2C(=O)NCC(C)(C)C)CC1
InChIInChI=1S/C16H27N5O2/c1-5-20-6-8-21(9-7-20)15(23)13-12(18-11-19-13)14(22)17-10-16(2,3)4/h11H,5-10H2,1-4H3,(H,17,22)(H,18,19)
InChIKeyZFJWYXPPIILZFR-UHFFFAOYSA-N
MW321.43 g/mol
LogP0.96
Rot. Bonds4

About N-(2,2-dimethylpropyl)-5-(4-ethylpiperazine-1-carbonyl)-1H-imidazole-4-carboxamide

N-(2,2-dimethylpropyl)-5-(4-ethylpiperazine-1-carbonyl)-1H-imidazole-4-carboxamide (PubChem CID 46264373) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-5-(4-ethylpiperazine-1-carbonyl)-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-5-(4-ethylpiperazine-1-carbonyl)-1H-imidazole-4-carboxamide
PubChem CID46264373
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC NameN-(2,2-dimethylpropyl)-5-(4-ethylpiperazine-1-carbonyl)-1H-imidazole-4-carboxamide
SMILESCCN1CCN(C(=O)c2[nH]cnc2C(=O)NCC(C)(C)C)CC1
InChIInChI=1S/C16H27N5O2/c1-5-20-6-8-21(9-7-20)15(23)13-12(18-11-19-13)14(22)17-10-16(2,3)4/h11H,5-10H2,1-4H3,(H,17,22)(H,18,19)
InChIKeyZFJWYXPPIILZFR-UHFFFAOYSA-N
XLogP0.96
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-(2,2-dimethylpropyl)-4-N-ethyl-1H-imidazole-4,5-dicarboxamide
CID 46264443
4-[(4-hydroxy-2,2-dimethylbutyl)carbamoyl]-1H-imidazole-5-carboxylic acid
CID 114149186
5-(4-benzylpiperazine-1-carbonyl)-N-cyclohexyl-1H-imidazole-4-carboxamide
CID 46264397
[4-(morpholine-4-carbonyl)-1H-imidazol-5-yl]-morpholin-4-ylmethanone
CID 4736510
4-N,5-N-bis(2-methylbutan-2-yl)-1H-imidazole-4,5-dicarboxamide
CID 167791204
(5-methyl-1H-imidazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 131943447
4-N,5-N-ditert-butyl-1H-imidazole-4,5-dicarboxamide
CID 101216749
N-(1-ethylpiperidin-4-yl)-5-(trifluoromethyl)-1H-imidazole-4-carboxamide
CID 138033986
N-tert-butyl-2-(4-ethylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084555
[6-(tert-butylamino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109367340
(4-ethylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone
CID 110690985
1,3-bis(4-ethylpiperazin-1-yl)propane-1,3-dione
CID 108944495

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-5-(4-ethylpiperazine-1-carbonyl)-1H-imidazole-4-carboxamide?
The IUPAC name of N-(2,2-dimethylpropyl)-5-(4-ethylpiperazine-1-carbonyl)-1H-imidazole-4-carboxamide (CID 46264373) is N-(2,2-dimethylpropyl)-5-(4-ethylpiperazine-1-carbonyl)-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-5-(4-ethylpiperazine-1-carbonyl)-1H-imidazole-4-carboxamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-5-(4-ethylpiperazine-1-carbonyl)-1H-imidazole-4-carboxamide is CCN1CCN(C(=O)c2[nH]cnc2C(=O)NCC(C)(C)C)CC1.
What is the InChIKey of N-(2,2-dimethylpropyl)-5-(4-ethylpiperazine-1-carbonyl)-1H-imidazole-4-carboxamide?
The InChIKey is ZFJWYXPPIILZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-5-20-6-8-21(9-7-20)15(23)13-12(18-11-19-13)14(22)17-10-16(2,3)4/h11H,5-10H2,1-4H3,(H,17,22)(H,18,19).
What are the key properties of N-(2,2-dimethylpropyl)-5-(4-ethylpiperazine-1-carbonyl)-1H-imidazole-4-carboxamide?
N-(2,2-dimethylpropyl)-5-(4-ethylpiperazine-1-carbonyl)-1H-imidazole-4-carboxamide has a molecular weight of 321.43 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-5-(4-ethylpiperazine-1-carbonyl)-1H-imidazole-4-carboxamide is sourced from PubChem (CID 46264373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).