N-benzoyl-N-[5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-4-(1-methylindol-5-yl)-1,2,4-triazol-3-yl]benzamide

C48H41N5O4 — CID 66986435

IUPACN-benzoyl-N-[5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-4-(1-methylindol-5-yl)-1,2,4-triazol-3-yl]benzamide
SMILESCC(C)c1cc(-c2nnc(N(C(=O)c3ccccc3)C(=O)c3ccccc3)n2-c2ccc3c(ccn3C)c2)c(OCc2ccccc2)cc1OCc1ccccc1
InChIInChI=1S/C48H41N5O4/c1-33(2)40-29-41(44(57-32-35-18-10-5-11-19-35)30-43(40)56-31-34-16-8-4-9-17-34)45-49-50-48(52(45)39-24-25-42-38(28-39)26-27-51(42)3)53(46(54)36-20-12-6-13-21-36)47(55)37-22-14-7-15-23-37/h4-30,33H,31-32H2,1-3H3
InChIKeyNWKIQTCBMBYULE-UHFFFAOYSA-N
MW751.89 g/mol
LogP10.19
Rot. Bonds12

About N-benzoyl-N-[5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-4-(1-methylindol-5-yl)-1,2,4-triazol-3-yl]benzamide

N-benzoyl-N-[5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-4-(1-methylindol-5-yl)-1,2,4-triazol-3-yl]benzamide (PubChem CID 66986435) has the molecular formula C48H41N5O4 and a molecular weight of 751.89 g/mol. Its IUPAC name is N-benzoyl-N-[5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-4-(1-methylindol-5-yl)-1,2,4-triazol-3-yl]benzamide.

Molecular Properties

Compound NameN-benzoyl-N-[5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-4-(1-methylindol-5-yl)-1,2,4-triazol-3-yl]benzamide
PubChem CID66986435
Molecular FormulaC48H41N5O4
Molecular Weight751.89 g/mol
Exact Mass751.32
IUPAC NameN-benzoyl-N-[5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-4-(1-methylindol-5-yl)-1,2,4-triazol-3-yl]benzamide
SMILESCC(C)c1cc(-c2nnc(N(C(=O)c3ccccc3)C(=O)c3ccccc3)n2-c2ccc3c(ccn3C)c2)c(OCc2ccccc2)cc1OCc1ccccc1
InChIInChI=1S/C48H41N5O4/c1-33(2)40-29-41(44(57-32-35-18-10-5-11-19-35)30-43(40)56-31-34-16-8-4-9-17-34)45-49-50-48(52(45)39-24-25-42-38(28-39)26-27-51(42)3)53(46(54)36-20-12-6-13-21-36)47(55)37-22-14-7-15-23-37/h4-30,33H,31-32H2,1-3H3
InChIKeyNWKIQTCBMBYULE-UHFFFAOYSA-N
XLogP10.19
TPSA91.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.89
LogP ≤ 510.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-benzoyl-N-[5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-4-(1-methylindol-5-yl)-1,2,4-triazol-3-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzoyl-N-[5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-4-(1-methylindol-5-yl)-1,2,4-triazol-3-yl]benzamide?
The IUPAC name of N-benzoyl-N-[5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-4-(1-methylindol-5-yl)-1,2,4-triazol-3-yl]benzamide (CID 66986435) is N-benzoyl-N-[5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-4-(1-methylindol-5-yl)-1,2,4-triazol-3-yl]benzamide.
What is the SMILES notation for N-benzoyl-N-[5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-4-(1-methylindol-5-yl)-1,2,4-triazol-3-yl]benzamide?
The canonical SMILES for N-benzoyl-N-[5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-4-(1-methylindol-5-yl)-1,2,4-triazol-3-yl]benzamide is CC(C)c1cc(-c2nnc(N(C(=O)c3ccccc3)C(=O)c3ccccc3)n2-c2ccc3c(ccn3C)c2)c(OCc2ccccc2)cc1OCc1ccccc1.
What is the InChIKey of N-benzoyl-N-[5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-4-(1-methylindol-5-yl)-1,2,4-triazol-3-yl]benzamide?
The InChIKey is NWKIQTCBMBYULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H41N5O4/c1-33(2)40-29-41(44(57-32-35-18-10-5-11-19-35)30-43(40)56-31-34-16-8-4-9-17-34)45-49-50-48(52(45)39-24-25-42-38(28-39)26-27-51(42)3)53(46(54)36-20-12-6-13-21-36)47(55)37-22-14-7-15-23-37/h4-30,33H,31-32H2,1-3H3.
What are the key properties of N-benzoyl-N-[5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-4-(1-methylindol-5-yl)-1,2,4-triazol-3-yl]benzamide?
N-benzoyl-N-[5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-4-(1-methylindol-5-yl)-1,2,4-triazol-3-yl]benzamide has a molecular weight of 751.89 g/mol, XLogP of 10.19, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzoyl-N-[5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-4-(1-methylindol-5-yl)-1,2,4-triazol-3-yl]benzamide is sourced from PubChem (CID 66986435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).