5-(4-benzylpiperazine-1-carbonyl)-N-cyclohexyl-1H-imidazole-4-carboxamide

C22H29N5O2 — CID 46264397

IUPAC5-(4-benzylpiperazine-1-carbonyl)-N-cyclohexyl-1H-imidazole-4-carboxamide
SMILESO=C(NC1CCCCC1)c1nc[nH]c1C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H29N5O2/c28-21(25-18-9-5-2-6-10-18)19-20(24-16-23-19)22(29)27-13-11-26(12-14-27)15-17-7-3-1-4-8-17/h1,3-4,7-8,16,18H,2,5-6,9-15H2,(H,23,24)(H,25,28)
InChIKeyGDIJQEQIKDXFQY-UHFFFAOYSA-N
MW395.51 g/mol
LogP2.43
Rot. Bonds5

About 5-(4-benzylpiperazine-1-carbonyl)-N-cyclohexyl-1H-imidazole-4-carboxamide

5-(4-benzylpiperazine-1-carbonyl)-N-cyclohexyl-1H-imidazole-4-carboxamide (PubChem CID 46264397) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 5-(4-benzylpiperazine-1-carbonyl)-N-cyclohexyl-1H-imidazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-benzylpiperazine-1-carbonyl)-N-cyclohexyl-1H-imidazole-4-carboxamide
PubChem CID46264397
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name5-(4-benzylpiperazine-1-carbonyl)-N-cyclohexyl-1H-imidazole-4-carboxamide
SMILESO=C(NC1CCCCC1)c1nc[nH]c1C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H29N5O2/c28-21(25-18-9-5-2-6-10-18)19-20(24-16-23-19)22(29)27-13-11-26(12-14-27)15-17-7-3-1-4-8-17/h1,3-4,7-8,16,18H,2,5-6,9-15H2,(H,23,24)(H,25,28)
InChIKeyGDIJQEQIKDXFQY-UHFFFAOYSA-N
XLogP2.43
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-benzylpiperazine-1-carbonyl)-N-(1-benzylpiperidin-4-yl)pyridine-2-carboxamide
CID 56650667
N-(1-benzylpiperidin-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 136666398
N-(1-benzylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 10568741
5-(4-benzylpiperazin-1-yl)-N-cyclopentylpyridine-2-carboxamide
CID 109182201
(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclohexylpropanamide
CID 51613241
1-benzyl-N-cyclopentylpiperidine-4-carboxamide
CID 2186968
2-[[C-(4-benzylpiperazin-1-yl)-N-methylcarbonimidoyl]amino]-N-cyclohexylacetamide;hydroiodide
CID 110959918
5-N-(cyclohexylmethyl)-4-N-cyclopropyl-1H-imidazole-4,5-dicarboxamide
CID 46264337
(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide
CID 2410459
N-(1-benzylpiperidin-4-yl)-2-(cyclohexylamino)-4-methyl-1,3-thiazole-5-carboxamide
CID 53365626
1-benzyl-N-cyclohexylpyrazole-4-carboxamide
CID 40710526
3-benzyl-N-cyclohexyl-4-oxophthalazine-1-carboxamide
CID 4811377

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylpiperazine-1-carbonyl)-N-cyclohexyl-1H-imidazole-4-carboxamide?
The IUPAC name of 5-(4-benzylpiperazine-1-carbonyl)-N-cyclohexyl-1H-imidazole-4-carboxamide (CID 46264397) is 5-(4-benzylpiperazine-1-carbonyl)-N-cyclohexyl-1H-imidazole-4-carboxamide.
What is the SMILES notation for 5-(4-benzylpiperazine-1-carbonyl)-N-cyclohexyl-1H-imidazole-4-carboxamide?
The canonical SMILES for 5-(4-benzylpiperazine-1-carbonyl)-N-cyclohexyl-1H-imidazole-4-carboxamide is O=C(NC1CCCCC1)c1nc[nH]c1C(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 5-(4-benzylpiperazine-1-carbonyl)-N-cyclohexyl-1H-imidazole-4-carboxamide?
The InChIKey is GDIJQEQIKDXFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c28-21(25-18-9-5-2-6-10-18)19-20(24-16-23-19)22(29)27-13-11-26(12-14-27)15-17-7-3-1-4-8-17/h1,3-4,7-8,16,18H,2,5-6,9-15H2,(H,23,24)(H,25,28).
What are the key properties of 5-(4-benzylpiperazine-1-carbonyl)-N-cyclohexyl-1H-imidazole-4-carboxamide?
5-(4-benzylpiperazine-1-carbonyl)-N-cyclohexyl-1H-imidazole-4-carboxamide has a molecular weight of 395.51 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzylpiperazine-1-carbonyl)-N-cyclohexyl-1H-imidazole-4-carboxamide is sourced from PubChem (CID 46264397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).