4-[2-phenyl-5-[2-(2H-tetrazol-5-yl)ethyl]pyrrol-1-yl]benzamide

C20H18N6O — CID 44623947

IUPAC4-[2-phenyl-5-[2-(2H-tetrazol-5-yl)ethyl]pyrrol-1-yl]benzamide
SMILESNC(=O)c1ccc(-n2c(CCc3nn[nH]n3)ccc2-c2ccccc2)cc1
InChIInChI=1S/C20H18N6O/c21-20(27)15-6-8-16(9-7-15)26-17(11-13-19-22-24-25-23-19)10-12-18(26)14-4-2-1-3-5-14/h1-10,12H,11,13H2,(H2,21,27)(H,22,23,24,25)
InChIKeyLHCDHWWBQYWVBD-UHFFFAOYSA-N
MW358.41 g/mol
LogP2.54
Rot. Bonds6

About 4-[2-phenyl-5-[2-(2H-tetrazol-5-yl)ethyl]pyrrol-1-yl]benzamide

4-[2-phenyl-5-[2-(2H-tetrazol-5-yl)ethyl]pyrrol-1-yl]benzamide (PubChem CID 44623947) has the molecular formula C20H18N6O and a molecular weight of 358.41 g/mol. Its IUPAC name is 4-[2-phenyl-5-[2-(2H-tetrazol-5-yl)ethyl]pyrrol-1-yl]benzamide.

Molecular Properties

Compound Name4-[2-phenyl-5-[2-(2H-tetrazol-5-yl)ethyl]pyrrol-1-yl]benzamide
PubChem CID44623947
Molecular FormulaC20H18N6O
Molecular Weight358.41 g/mol
Exact Mass358.15
IUPAC Name4-[2-phenyl-5-[2-(2H-tetrazol-5-yl)ethyl]pyrrol-1-yl]benzamide
SMILESNC(=O)c1ccc(-n2c(CCc3nn[nH]n3)ccc2-c2ccccc2)cc1
InChIInChI=1S/C20H18N6O/c21-20(27)15-6-8-16(9-7-15)26-17(11-13-19-22-24-25-23-19)10-12-18(26)14-4-2-1-3-5-14/h1-10,12H,11,13H2,(H2,21,27)(H,22,23,24,25)
InChIKeyLHCDHWWBQYWVBD-UHFFFAOYSA-N
XLogP2.54
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

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Related Compounds

4-(2-((1h-Tetrazol-5-yl)methyl)-5-(4-bromophenyl)-1h-pyrrol-1-yl)-3-methylbenzamide
CID 46176282
4-[2-(4-bromophenyl)-5-[2-(2H-tetrazol-5-yl)ethyl]pyrrol-1-yl]-3-methylbenzamide
CID 46176284
N-[2-Benzyl-4-(1h-Tetrazol-5-Yl)phenyl]-6-(Cyclohexylmethyl)pyridine-2-Carboxamide
CID 76210622
5-[4-(3-benzoyl-2,5-dimethylpyrrol-1-yl)phenyl]-N,N-dimethyltetrazole-2-carboxamide
CID 72198161
3-(5-(4-(2H-tetrazol-5-yl)phenyl)-1-(4-carbamoyl-2-methylphenyl)-1H-pyrrol-2-yl)propanoic acid
CID 56679373
Benzoic acid, p-(2-methyl-5-phenylpyrrol-1-yl)-, hydrazide
CID 213332
3-(2H-tetrazol-5-yl)-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide
CID 9927598
N-[(E)-1-[4-(2,5-dimethylpyrrol-1-yl)phenyl]ethylideneamino]benzamide
CID 76310049
4-(2,5-dimethylpyrrol-1-yl)-N-[(E)-1-[4-(2,5-dimethylpyrrol-1-yl)phenyl]ethylideneamino]benzamide
CID 76331887
5-butyl-3-(2-methylpropyl)-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrrole-2-carbaldehyde
CID 11633591
N,4-bis(2,5-dimethylpyrrol-1-yl)benzamide
CID 43822414
N-(benzhydrylideneamino)-4-(2,5-dimethylpyrrol-1-yl)benzamide
CID 76308963

Frequently Asked Questions

What is the IUPAC name of 4-[2-phenyl-5-[2-(2H-tetrazol-5-yl)ethyl]pyrrol-1-yl]benzamide?
The IUPAC name of 4-[2-phenyl-5-[2-(2H-tetrazol-5-yl)ethyl]pyrrol-1-yl]benzamide (CID 44623947) is 4-[2-phenyl-5-[2-(2H-tetrazol-5-yl)ethyl]pyrrol-1-yl]benzamide.
What is the SMILES notation for 4-[2-phenyl-5-[2-(2H-tetrazol-5-yl)ethyl]pyrrol-1-yl]benzamide?
The canonical SMILES for 4-[2-phenyl-5-[2-(2H-tetrazol-5-yl)ethyl]pyrrol-1-yl]benzamide is NC(=O)c1ccc(-n2c(CCc3nn[nH]n3)ccc2-c2ccccc2)cc1.
What is the InChIKey of 4-[2-phenyl-5-[2-(2H-tetrazol-5-yl)ethyl]pyrrol-1-yl]benzamide?
The InChIKey is LHCDHWWBQYWVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O/c21-20(27)15-6-8-16(9-7-15)26-17(11-13-19-22-24-25-23-19)10-12-18(26)14-4-2-1-3-5-14/h1-10,12H,11,13H2,(H2,21,27)(H,22,23,24,25).
What are the key properties of 4-[2-phenyl-5-[2-(2H-tetrazol-5-yl)ethyl]pyrrol-1-yl]benzamide?
4-[2-phenyl-5-[2-(2H-tetrazol-5-yl)ethyl]pyrrol-1-yl]benzamide has a molecular weight of 358.41 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-phenyl-5-[2-(2H-tetrazol-5-yl)ethyl]pyrrol-1-yl]benzamide is sourced from PubChem (CID 44623947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).