3-methyl-N-[1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]benzo[g][1]benzofuran-2-carboxamide

C24H20N4O2 — CID 91649991

IUPAC3-methyl-N-[1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]benzo[g][1]benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC(Cc2ncn[nH]2)c2ccccc2)oc2c1ccc1ccccc12
InChIInChI=1S/C24H20N4O2/c1-15-18-12-11-16-7-5-6-10-19(16)23(18)30-22(15)24(29)27-20(13-21-25-14-26-28-21)17-8-3-2-4-9-17/h2-12,14,20H,13H2,1H3,(H,27,29)(H,25,26,28)
InChIKeyINPHUEBCPJXGNS-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.73
Rot. Bonds5

About 3-methyl-N-[1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]benzo[g][1]benzofuran-2-carboxamide

3-methyl-N-[1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]benzo[g][1]benzofuran-2-carboxamide (PubChem CID 91649991) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is 3-methyl-N-[1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]benzo[g][1]benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]benzo[g][1]benzofuran-2-carboxamide
PubChem CID91649991
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC Name3-methyl-N-[1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]benzo[g][1]benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC(Cc2ncn[nH]2)c2ccccc2)oc2c1ccc1ccccc12
InChIInChI=1S/C24H20N4O2/c1-15-18-12-11-16-7-5-6-10-19(16)23(18)30-22(15)24(29)27-20(13-21-25-14-26-28-21)17-8-3-2-4-9-17/h2-12,14,20H,13H2,1H3,(H,27,29)(H,25,26,28)
InChIKeyINPHUEBCPJXGNS-UHFFFAOYSA-N
XLogP4.73
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-methyl-N-[1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]benzo[g][1]benzofuran-2-carboxamide with MolForge

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Related Compounds

3-methyl-N-[(1R)-1-phenylethyl]benzo[g][1]benzofuran-2-carboxamide
CID 7945436
3-methyl-2-[(3-methylbenzo[g][1]benzofuran-2-carbonyl)amino]butanoic acid
CID 119348344
5-(dimethylsulfamoyl)-N-[(1S)-1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-carboxamide
CID 99788275
N-(4-fluorophenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 7733139
3-methyl-N-(3-methylbutyl)benzo[g][1]benzofuran-2-carboxamide
CID 7926460
3-methyl-N-(1,3,4-thiadiazol-2-yl)benzo[g][1]benzofuran-2-carboxamide
CID 30550761
3,7-dimethyl-N-[(1R)-3-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]butyl]-1-benzofuran-2-carboxamide
CID 97072599
3-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzo[g][1]benzofuran-2-carboxamide
CID 154858086
3-methyl-N-[(1S)-1-phenylpropyl]-1-benzofuran-2-carboxamide
CID 40636003
2-methoxy-N-[2-oxo-2-[[(1S)-1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]amino]ethyl]benzamide
CID 99800960
3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzo[g][1]benzofuran-2-carboxamide
CID 86825646
N-(2,3-dimethylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 7946958

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]benzo[g][1]benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-[1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]benzo[g][1]benzofuran-2-carboxamide (CID 91649991) is 3-methyl-N-[1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]benzo[g][1]benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]benzo[g][1]benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-[1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]benzo[g][1]benzofuran-2-carboxamide is Cc1c(C(=O)NC(Cc2ncn[nH]2)c2ccccc2)oc2c1ccc1ccccc12.
What is the InChIKey of 3-methyl-N-[1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]benzo[g][1]benzofuran-2-carboxamide?
The InChIKey is INPHUEBCPJXGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2/c1-15-18-12-11-16-7-5-6-10-19(16)23(18)30-22(15)24(29)27-20(13-21-25-14-26-28-21)17-8-3-2-4-9-17/h2-12,14,20H,13H2,1H3,(H,27,29)(H,25,26,28).
What are the key properties of 3-methyl-N-[1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]benzo[g][1]benzofuran-2-carboxamide?
3-methyl-N-[1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]benzo[g][1]benzofuran-2-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 4.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]benzo[g][1]benzofuran-2-carboxamide is sourced from PubChem (CID 91649991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).