1-(2-benzylphenyl)-2,3-dihydropyrrole

C17H17N — CID 162399358

IUPAC1-(2-benzylphenyl)-2,3-dihydropyrrole
SMILESC1=CN(c2ccccc2Cc2ccccc2)CC1
InChIInChI=1S/C17H17N/c1-2-8-15(9-3-1)14-16-10-4-5-11-17(16)18-12-6-7-13-18/h1-6,8-12H,7,13-14H2
InChIKeyPHGIGNZKMDLZAO-UHFFFAOYSA-N
MW235.33 g/mol
LogP4.00
Rot. Bonds3

About 1-(2-benzylphenyl)-2,3-dihydropyrrole

1-(2-benzylphenyl)-2,3-dihydropyrrole (PubChem CID 162399358) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(2-benzylphenyl)-2,3-dihydropyrrole.

Molecular Properties

Compound Name1-(2-benzylphenyl)-2,3-dihydropyrrole
PubChem CID162399358
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC Name1-(2-benzylphenyl)-2,3-dihydropyrrole
SMILESC1=CN(c2ccccc2Cc2ccccc2)CC1
InChIInChI=1S/C17H17N/c1-2-8-15(9-3-1)14-16-10-4-5-11-17(16)18-12-6-7-13-18/h1-6,8-12H,7,13-14H2
InChIKeyPHGIGNZKMDLZAO-UHFFFAOYSA-N
XLogP4.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-benzylphenyl)-2,5-dimethylpyrrole
CID 15643956
1-(2-benzylphenyl)-3-phenyl-2H-benzimidazole
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5-benzyl-4-(2,3-dihydropyrrol-1-yl)-6-methyl-2-methylsulfonylpyrimidine
CID 163959479
1-[1-(2-benzylphenyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62514049
1-(2-benzylphenyl)-3-methyl-1,4-diazepane
CID 64945059
1-(2-benzylphenyl)-1,3-diazinan-2-one
CID 115370897
1-(2-benzylphenyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168509240
methyl 1-(2-benzylphenyl)azetidine-2-carboxylate
CID 115937751
1-(4-benzyl-3-pyrrolidin-1-ylphenyl)azepane
CID 132507464
azocan-1-yl-(2-benzylphenyl)methanone
CID 112793165
phenyl(113C)methylbenzene
CID 11194569
1-benzyl-2,3-dihydropyrrole;1-ethyl-2,3-dihydropyrrole
CID 162060855

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzylphenyl)-2,3-dihydropyrrole?
The IUPAC name of 1-(2-benzylphenyl)-2,3-dihydropyrrole (CID 162399358) is 1-(2-benzylphenyl)-2,3-dihydropyrrole.
What is the SMILES notation for 1-(2-benzylphenyl)-2,3-dihydropyrrole?
The canonical SMILES for 1-(2-benzylphenyl)-2,3-dihydropyrrole is C1=CN(c2ccccc2Cc2ccccc2)CC1.
What is the InChIKey of 1-(2-benzylphenyl)-2,3-dihydropyrrole?
The InChIKey is PHGIGNZKMDLZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N/c1-2-8-15(9-3-1)14-16-10-4-5-11-17(16)18-12-6-7-13-18/h1-6,8-12H,7,13-14H2.
What are the key properties of 1-(2-benzylphenyl)-2,3-dihydropyrrole?
1-(2-benzylphenyl)-2,3-dihydropyrrole has a molecular weight of 235.33 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzylphenyl)-2,3-dihydropyrrole is sourced from PubChem (CID 162399358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).