2-benzyl-3,4-dichloro-1H-pyrrole

C11H9Cl2N — CID 122442244

IUPAC2-benzyl-3,4-dichloro-1H-pyrrole
SMILESClc1c[nH]c(Cc2ccccc2)c1Cl
InChIInChI=1S/C11H9Cl2N/c12-9-7-14-10(11(9)13)6-8-4-2-1-3-5-8/h1-5,7,14H,6H2
InChIKeyDJFANUDYQPSYRI-UHFFFAOYSA-N
MW226.11 g/mol
LogP3.91
Rot. Bonds2

About 2-benzyl-3,4-dichloro-1H-pyrrole

2-benzyl-3,4-dichloro-1H-pyrrole (PubChem CID 122442244) has the molecular formula C11H9Cl2N and a molecular weight of 226.11 g/mol. Its IUPAC name is 2-benzyl-3,4-dichloro-1H-pyrrole.

Molecular Properties

Compound Name2-benzyl-3,4-dichloro-1H-pyrrole
PubChem CID122442244
Molecular FormulaC11H9Cl2N
Molecular Weight226.11 g/mol
Exact Mass225.01
IUPAC Name2-benzyl-3,4-dichloro-1H-pyrrole
SMILESClc1c[nH]c(Cc2ccccc2)c1Cl
InChIInChI=1S/C11H9Cl2N/c12-9-7-14-10(11(9)13)6-8-4-2-1-3-5-8/h1-5,7,14H,6H2
InChIKeyDJFANUDYQPSYRI-UHFFFAOYSA-N
XLogP3.91
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.11
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

5-benzyl-4-(2-chlorophenyl)-1H-imidazole
CID 127048015
phenyl(113C)methylbenzene
CID 11194569
2-benzyl-3,4,5-trichloropyridine
CID 173468894
3,4-dibenzyl-1H-pyrrole
CID 4984366
potassium;benzylbenzene;hydride
CID 173011788
magnesium;benzylbenzene;bromide
CID 85435877
4-benzyl-5-chloro-1H-pyrrole-3-sulfinyl chloride
CID 166153634
5-benzyl-1H-imidazole-4-carboxamide
CID 102170188
1,3-dibenzyl-2-chloro-5-methylbenzene
CID 159286619
1,4-dibenzylbenzene;ethane
CID 91406396
1-benzyl-4-[(4-benzylphenyl)methyl]benzene;1,4-dibenzylbenzene;ethane
CID 158067654
1-benzyl-3,5-dichlorobenzene;methane
CID 144850589

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3,4-dichloro-1H-pyrrole?
The IUPAC name of 2-benzyl-3,4-dichloro-1H-pyrrole (CID 122442244) is 2-benzyl-3,4-dichloro-1H-pyrrole.
What is the SMILES notation for 2-benzyl-3,4-dichloro-1H-pyrrole?
The canonical SMILES for 2-benzyl-3,4-dichloro-1H-pyrrole is Clc1c[nH]c(Cc2ccccc2)c1Cl.
What is the InChIKey of 2-benzyl-3,4-dichloro-1H-pyrrole?
The InChIKey is DJFANUDYQPSYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N/c12-9-7-14-10(11(9)13)6-8-4-2-1-3-5-8/h1-5,7,14H,6H2.
What are the key properties of 2-benzyl-3,4-dichloro-1H-pyrrole?
2-benzyl-3,4-dichloro-1H-pyrrole has a molecular weight of 226.11 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3,4-dichloro-1H-pyrrole is sourced from PubChem (CID 122442244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).