2-(benzotriazol-1-yl)-N-[(1-methylpyrrol-3-yl)methyl]-N-(4-phenylphenyl)acetamide

C26H23N5O — CID 154730263

IUPAC2-(benzotriazol-1-yl)-N-[(1-methylpyrrol-3-yl)methyl]-N-(4-phenylphenyl)acetamide
SMILESCn1ccc(CN(C(=O)Cn2nnc3ccccc32)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C26H23N5O/c1-29-16-15-20(17-29)18-30(23-13-11-22(12-14-23)21-7-3-2-4-8-21)26(32)19-31-25-10-6-5-9-24(25)27-28-31/h2-17H,18-19H2,1H3
InChIKeyFTYGCQPQCNRKNV-UHFFFAOYSA-N
MW421.50 g/mol
LogP4.67
Rot. Bonds6

About 2-(benzotriazol-1-yl)-N-[(1-methylpyrrol-3-yl)methyl]-N-(4-phenylphenyl)acetamide

2-(benzotriazol-1-yl)-N-[(1-methylpyrrol-3-yl)methyl]-N-(4-phenylphenyl)acetamide (PubChem CID 154730263) has the molecular formula C26H23N5O and a molecular weight of 421.50 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-[(1-methylpyrrol-3-yl)methyl]-N-(4-phenylphenyl)acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-[(1-methylpyrrol-3-yl)methyl]-N-(4-phenylphenyl)acetamide
PubChem CID154730263
Molecular FormulaC26H23N5O
Molecular Weight421.50 g/mol
Exact Mass421.19
IUPAC Name2-(benzotriazol-1-yl)-N-[(1-methylpyrrol-3-yl)methyl]-N-(4-phenylphenyl)acetamide
SMILESCn1ccc(CN(C(=O)Cn2nnc3ccccc32)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C26H23N5O/c1-29-16-15-20(17-29)18-30(23-13-11-22(12-14-23)21-7-3-2-4-8-21)26(32)19-31-25-10-6-5-9-24(25)27-28-31/h2-17H,18-19H2,1H3
InChIKeyFTYGCQPQCNRKNV-UHFFFAOYSA-N
XLogP4.67
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-[(1-methylpyrrol-3-yl)methyl]-N-(4-phenylphenyl)acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-[(1-methylpyrrol-3-yl)methyl]-N-(4-phenylphenyl)acetamide (CID 154730263) is 2-(benzotriazol-1-yl)-N-[(1-methylpyrrol-3-yl)methyl]-N-(4-phenylphenyl)acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-[(1-methylpyrrol-3-yl)methyl]-N-(4-phenylphenyl)acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-[(1-methylpyrrol-3-yl)methyl]-N-(4-phenylphenyl)acetamide is Cn1ccc(CN(C(=O)Cn2nnc3ccccc32)c2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-[(1-methylpyrrol-3-yl)methyl]-N-(4-phenylphenyl)acetamide?
The InChIKey is FTYGCQPQCNRKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O/c1-29-16-15-20(17-29)18-30(23-13-11-22(12-14-23)21-7-3-2-4-8-21)26(32)19-31-25-10-6-5-9-24(25)27-28-31/h2-17H,18-19H2,1H3.
What are the key properties of 2-(benzotriazol-1-yl)-N-[(1-methylpyrrol-3-yl)methyl]-N-(4-phenylphenyl)acetamide?
2-(benzotriazol-1-yl)-N-[(1-methylpyrrol-3-yl)methyl]-N-(4-phenylphenyl)acetamide has a molecular weight of 421.50 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-[(1-methylpyrrol-3-yl)methyl]-N-(4-phenylphenyl)acetamide is sourced from PubChem (CID 154730263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).