4-(4-cyclopropyl-2-hydroxy-2,3-dihydrobenzimidazol-1-yl)-N-(4-iodophenyl)piperidine-1-carboxamide

C22H25IN4O2 — CID 155466180

IUPAC4-(4-cyclopropyl-2-hydroxy-2,3-dihydrobenzimidazol-1-yl)-N-(4-iodophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(I)cc1)N1CCC(N2c3cccc(C4CC4)c3NC2O)CC1
InChIInChI=1S/C22H25IN4O2/c23-15-6-8-16(9-7-15)24-21(28)26-12-10-17(11-13-26)27-19-3-1-2-18(14-4-5-14)20(19)25-22(27)29/h1-3,6-9,14,17,22,25,29H,4-5,10-13H2,(H,24,28)
InChIKeyGFWZXDGGQCTSGW-UHFFFAOYSA-N
MW504.37 g/mol
LogP4.37
Rot. Bonds3

About 4-(4-cyclopropyl-2-hydroxy-2,3-dihydrobenzimidazol-1-yl)-N-(4-iodophenyl)piperidine-1-carboxamide

4-(4-cyclopropyl-2-hydroxy-2,3-dihydrobenzimidazol-1-yl)-N-(4-iodophenyl)piperidine-1-carboxamide (PubChem CID 155466180) has the molecular formula C22H25IN4O2 and a molecular weight of 504.37 g/mol. Its IUPAC name is 4-(4-cyclopropyl-2-hydroxy-2,3-dihydrobenzimidazol-1-yl)-N-(4-iodophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(4-cyclopropyl-2-hydroxy-2,3-dihydrobenzimidazol-1-yl)-N-(4-iodophenyl)piperidine-1-carboxamide
PubChem CID155466180
Molecular FormulaC22H25IN4O2
Molecular Weight504.37 g/mol
Exact Mass504.10
IUPAC Name4-(4-cyclopropyl-2-hydroxy-2,3-dihydrobenzimidazol-1-yl)-N-(4-iodophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(I)cc1)N1CCC(N2c3cccc(C4CC4)c3NC2O)CC1
InChIInChI=1S/C22H25IN4O2/c23-15-6-8-16(9-7-15)24-21(28)26-12-10-17(11-13-26)27-19-3-1-2-18(14-4-5-14)20(19)25-22(27)29/h1-3,6-9,14,17,22,25,29H,4-5,10-13H2,(H,24,28)
InChIKeyGFWZXDGGQCTSGW-UHFFFAOYSA-N
XLogP4.37
TPSA67.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.37
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-iodophenyl)piperazine-1-carboxamide;hydrochloride
CID 165429741
4-(2-methylphenyl)-N-(4-methylsulfanylphenyl)piperidine-1-carboxamide
CID 23071923
N-(4-iodophenyl)-4-(4-methoxybenzoyl)piperidine-1-carboxamide
CID 112824394
4-[4-[4-(diethylcarbamoyl)pyrazol-1-yl]-2-oxo-3H-benzimidazol-1-yl]-N-(4-iodophenyl)piperidine-1-carboxamide
CID 155466220
N-(4-acetamidophenyl)-4-cyclopropylpiperazine-1-carboxamide
CID 113103473
N-(4-fluorophenyl)-4-sulfanylpiperidine-1-carboxamide
CID 123534187
4-amino-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 16773171
4-isoquinolin-5-yl-N-[4-(triazol-2-yl)phenyl]piperidine-1-carboxamide
CID 166229437
N-[4-(aminomethyl)phenyl]-4-methylpiperidine-1-carboxamide
CID 43133019
N-(4-chlorophenyl)-4-(2-oxo-1,3-diazinan-1-yl)piperidine-1-carboxamide
CID 134793891
4-(2-aminophenyl)-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 170456870
4-benzyl-N-phenylpiperidine-1-carboxamide
CID 5064762

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropyl-2-hydroxy-2,3-dihydrobenzimidazol-1-yl)-N-(4-iodophenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(4-cyclopropyl-2-hydroxy-2,3-dihydrobenzimidazol-1-yl)-N-(4-iodophenyl)piperidine-1-carboxamide (CID 155466180) is 4-(4-cyclopropyl-2-hydroxy-2,3-dihydrobenzimidazol-1-yl)-N-(4-iodophenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(4-cyclopropyl-2-hydroxy-2,3-dihydrobenzimidazol-1-yl)-N-(4-iodophenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(4-cyclopropyl-2-hydroxy-2,3-dihydrobenzimidazol-1-yl)-N-(4-iodophenyl)piperidine-1-carboxamide is O=C(Nc1ccc(I)cc1)N1CCC(N2c3cccc(C4CC4)c3NC2O)CC1.
What is the InChIKey of 4-(4-cyclopropyl-2-hydroxy-2,3-dihydrobenzimidazol-1-yl)-N-(4-iodophenyl)piperidine-1-carboxamide?
The InChIKey is GFWZXDGGQCTSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25IN4O2/c23-15-6-8-16(9-7-15)24-21(28)26-12-10-17(11-13-26)27-19-3-1-2-18(14-4-5-14)20(19)25-22(27)29/h1-3,6-9,14,17,22,25,29H,4-5,10-13H2,(H,24,28).
What are the key properties of 4-(4-cyclopropyl-2-hydroxy-2,3-dihydrobenzimidazol-1-yl)-N-(4-iodophenyl)piperidine-1-carboxamide?
4-(4-cyclopropyl-2-hydroxy-2,3-dihydrobenzimidazol-1-yl)-N-(4-iodophenyl)piperidine-1-carboxamide has a molecular weight of 504.37 g/mol, XLogP of 4.37, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropyl-2-hydroxy-2,3-dihydrobenzimidazol-1-yl)-N-(4-iodophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 155466180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).