1-benzyl-5-(1-benzyl-2-methyl-4-phenylpyrrol-3-yl)tetrazole

C26H23N5 — CID 132581377

IUPAC1-benzyl-5-(1-benzyl-2-methyl-4-phenylpyrrol-3-yl)tetrazole
SMILESCc1c(-c2nnnn2Cc2ccccc2)c(-c2ccccc2)cn1Cc1ccccc1
InChIInChI=1S/C26H23N5/c1-20-25(26-27-28-29-31(26)18-22-13-7-3-8-14-22)24(23-15-9-4-10-16-23)19-30(20)17-21-11-5-2-6-12-21/h2-16,19H,17-18H2,1H3
InChIKeyRRKYMWGTUPYACR-UHFFFAOYSA-N
MW405.50 g/mol
LogP5.21
Rot. Bonds6

About 1-benzyl-5-(1-benzyl-2-methyl-4-phenylpyrrol-3-yl)tetrazole

1-benzyl-5-(1-benzyl-2-methyl-4-phenylpyrrol-3-yl)tetrazole (PubChem CID 132581377) has the molecular formula C26H23N5 and a molecular weight of 405.50 g/mol. Its IUPAC name is 1-benzyl-5-(1-benzyl-2-methyl-4-phenylpyrrol-3-yl)tetrazole.

Molecular Properties

Compound Name1-benzyl-5-(1-benzyl-2-methyl-4-phenylpyrrol-3-yl)tetrazole
PubChem CID132581377
Molecular FormulaC26H23N5
Molecular Weight405.50 g/mol
Exact Mass405.20
IUPAC Name1-benzyl-5-(1-benzyl-2-methyl-4-phenylpyrrol-3-yl)tetrazole
SMILESCc1c(-c2nnnn2Cc2ccccc2)c(-c2ccccc2)cn1Cc1ccccc1
InChIInChI=1S/C26H23N5/c1-20-25(26-27-28-29-31(26)18-22-13-7-3-8-14-22)24(23-15-9-4-10-16-23)19-30(20)17-21-11-5-2-6-12-21/h2-16,19H,17-18H2,1H3
InChIKeyRRKYMWGTUPYACR-UHFFFAOYSA-N
XLogP5.21
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.50
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(1-benzyl-2-methyl-4-phenylpyrrol-3-yl)tetrazole?
The IUPAC name of 1-benzyl-5-(1-benzyl-2-methyl-4-phenylpyrrol-3-yl)tetrazole (CID 132581377) is 1-benzyl-5-(1-benzyl-2-methyl-4-phenylpyrrol-3-yl)tetrazole.
What is the SMILES notation for 1-benzyl-5-(1-benzyl-2-methyl-4-phenylpyrrol-3-yl)tetrazole?
The canonical SMILES for 1-benzyl-5-(1-benzyl-2-methyl-4-phenylpyrrol-3-yl)tetrazole is Cc1c(-c2nnnn2Cc2ccccc2)c(-c2ccccc2)cn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-(1-benzyl-2-methyl-4-phenylpyrrol-3-yl)tetrazole?
The InChIKey is RRKYMWGTUPYACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5/c1-20-25(26-27-28-29-31(26)18-22-13-7-3-8-14-22)24(23-15-9-4-10-16-23)19-30(20)17-21-11-5-2-6-12-21/h2-16,19H,17-18H2,1H3.
What are the key properties of 1-benzyl-5-(1-benzyl-2-methyl-4-phenylpyrrol-3-yl)tetrazole?
1-benzyl-5-(1-benzyl-2-methyl-4-phenylpyrrol-3-yl)tetrazole has a molecular weight of 405.50 g/mol, XLogP of 5.21, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(1-benzyl-2-methyl-4-phenylpyrrol-3-yl)tetrazole is sourced from PubChem (CID 132581377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).