1-(2-benzylphenyl)-2,5-dimethylpyrrole

C19H19N — CID 15643956

IUPAC1-(2-benzylphenyl)-2,5-dimethylpyrrole
SMILESCc1ccc(C)n1-c1ccccc1Cc1ccccc1
InChIInChI=1S/C19H19N/c1-15-12-13-16(2)20(15)19-11-7-6-10-18(19)14-17-8-4-3-5-9-17/h3-13H,14H2,1-2H3
InChIKeyNTIKOEJOCFRUDZ-UHFFFAOYSA-N
MW261.37 g/mol
LogP4.68
Rot. Bonds3

About 1-(2-benzylphenyl)-2,5-dimethylpyrrole

1-(2-benzylphenyl)-2,5-dimethylpyrrole (PubChem CID 15643956) has the molecular formula C19H19N and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(2-benzylphenyl)-2,5-dimethylpyrrole.

Molecular Properties

Compound Name1-(2-benzylphenyl)-2,5-dimethylpyrrole
PubChem CID15643956
Molecular FormulaC19H19N
Molecular Weight261.37 g/mol
Exact Mass261.15
IUPAC Name1-(2-benzylphenyl)-2,5-dimethylpyrrole
SMILESCc1ccc(C)n1-c1ccccc1Cc1ccccc1
InChIInChI=1S/C19H19N/c1-15-12-13-16(2)20(15)19-11-7-6-10-18(19)14-17-8-4-3-5-9-17/h3-13H,14H2,1-2H3
InChIKeyNTIKOEJOCFRUDZ-UHFFFAOYSA-N
XLogP4.68
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-2-methylbenzene;hydrochloride
CID 139328614
1-[2-(2,5-dimethylpyrrol-1-yl)phenyl]propan-2-one
CID 118443934
3-(2-benzylphenyl)-5-methyl-1H-imidazole-2-thione
CID 81334659
1,4-dibenzyl-2,5-dimethylbenzene
CID 22920047
1-(2-benzylphenyl)-3-phenyl-2H-benzimidazole
CID 58281398
1-benzyl-2-chloro-3-methylbenzene;isocyanic acid
CID 88621188
1-(2-benzylphenyl)-2,3-dihydropyrrole
CID 162399358
2-benzylphenol;ethane
CID 91068983
1-benzyl-2-ethenyl-3-methylbenzene
CID 140517304
2-methyl-1-phenyl-5-(2-phenylethyl)pyrrole
CID 71396512
azane;1-benzyl-2,3-dimethylbenzene;hydrochloride
CID 174867327
benzylbenzene;methoxymethane
CID 161110966

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzylphenyl)-2,5-dimethylpyrrole?
The IUPAC name of 1-(2-benzylphenyl)-2,5-dimethylpyrrole (CID 15643956) is 1-(2-benzylphenyl)-2,5-dimethylpyrrole.
What is the SMILES notation for 1-(2-benzylphenyl)-2,5-dimethylpyrrole?
The canonical SMILES for 1-(2-benzylphenyl)-2,5-dimethylpyrrole is Cc1ccc(C)n1-c1ccccc1Cc1ccccc1.
What is the InChIKey of 1-(2-benzylphenyl)-2,5-dimethylpyrrole?
The InChIKey is NTIKOEJOCFRUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N/c1-15-12-13-16(2)20(15)19-11-7-6-10-18(19)14-17-8-4-3-5-9-17/h3-13H,14H2,1-2H3.
What are the key properties of 1-(2-benzylphenyl)-2,5-dimethylpyrrole?
1-(2-benzylphenyl)-2,5-dimethylpyrrole has a molecular weight of 261.37 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzylphenyl)-2,5-dimethylpyrrole is sourced from PubChem (CID 15643956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).