N-(4-cyclohexylphenyl)-3-hydroxy-2-(1H-imidazol-2-ylmethyl)-5-oxo-1,2-dihydropyrrole-4-carboxamide

C21H24N4O3 — CID 54733941

IUPACN-(4-cyclohexylphenyl)-3-hydroxy-2-(1H-imidazol-2-ylmethyl)-5-oxo-1,2-dihydropyrrole-4-carboxamide
SMILESO=C(Nc1ccc(C2CCCCC2)cc1)C1=C(O)C(Cc2ncc[nH]2)NC1=O
InChIInChI=1S/C21H24N4O3/c26-19-16(12-17-22-10-11-23-17)25-21(28)18(19)20(27)24-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h6-11,13,16,26H,1-5,12H2,(H,22,23)(H,24,27)(H,25,28)
InChIKeyDAATYZFKUMYJPO-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.95
Rot. Bonds5

About N-(4-cyclohexylphenyl)-3-hydroxy-2-(1H-imidazol-2-ylmethyl)-5-oxo-1,2-dihydropyrrole-4-carboxamide

N-(4-cyclohexylphenyl)-3-hydroxy-2-(1H-imidazol-2-ylmethyl)-5-oxo-1,2-dihydropyrrole-4-carboxamide (PubChem CID 54733941) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-(4-cyclohexylphenyl)-3-hydroxy-2-(1H-imidazol-2-ylmethyl)-5-oxo-1,2-dihydropyrrole-4-carboxamide.

Molecular Properties

Compound NameN-(4-cyclohexylphenyl)-3-hydroxy-2-(1H-imidazol-2-ylmethyl)-5-oxo-1,2-dihydropyrrole-4-carboxamide
PubChem CID54733941
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-(4-cyclohexylphenyl)-3-hydroxy-2-(1H-imidazol-2-ylmethyl)-5-oxo-1,2-dihydropyrrole-4-carboxamide
SMILESO=C(Nc1ccc(C2CCCCC2)cc1)C1=C(O)C(Cc2ncc[nH]2)NC1=O
InChIInChI=1S/C21H24N4O3/c26-19-16(12-17-22-10-11-23-17)25-21(28)18(19)20(27)24-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h6-11,13,16,26H,1-5,12H2,(H,22,23)(H,24,27)(H,25,28)
InChIKeyDAATYZFKUMYJPO-UHFFFAOYSA-N
XLogP2.95
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylphenyl)-3-hydroxy-2-(1H-imidazol-2-ylmethyl)-5-oxo-1,2-dihydropyrrole-4-carboxamide?
The IUPAC name of N-(4-cyclohexylphenyl)-3-hydroxy-2-(1H-imidazol-2-ylmethyl)-5-oxo-1,2-dihydropyrrole-4-carboxamide (CID 54733941) is N-(4-cyclohexylphenyl)-3-hydroxy-2-(1H-imidazol-2-ylmethyl)-5-oxo-1,2-dihydropyrrole-4-carboxamide.
What is the SMILES notation for N-(4-cyclohexylphenyl)-3-hydroxy-2-(1H-imidazol-2-ylmethyl)-5-oxo-1,2-dihydropyrrole-4-carboxamide?
The canonical SMILES for N-(4-cyclohexylphenyl)-3-hydroxy-2-(1H-imidazol-2-ylmethyl)-5-oxo-1,2-dihydropyrrole-4-carboxamide is O=C(Nc1ccc(C2CCCCC2)cc1)C1=C(O)C(Cc2ncc[nH]2)NC1=O.
What is the InChIKey of N-(4-cyclohexylphenyl)-3-hydroxy-2-(1H-imidazol-2-ylmethyl)-5-oxo-1,2-dihydropyrrole-4-carboxamide?
The InChIKey is DAATYZFKUMYJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c26-19-16(12-17-22-10-11-23-17)25-21(28)18(19)20(27)24-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h6-11,13,16,26H,1-5,12H2,(H,22,23)(H,24,27)(H,25,28).
What are the key properties of N-(4-cyclohexylphenyl)-3-hydroxy-2-(1H-imidazol-2-ylmethyl)-5-oxo-1,2-dihydropyrrole-4-carboxamide?
N-(4-cyclohexylphenyl)-3-hydroxy-2-(1H-imidazol-2-ylmethyl)-5-oxo-1,2-dihydropyrrole-4-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.95, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylphenyl)-3-hydroxy-2-(1H-imidazol-2-ylmethyl)-5-oxo-1,2-dihydropyrrole-4-carboxamide is sourced from PubChem (CID 54733941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).