(2R)-2-benzyl-5-[(2R)-2-benzyl-3,4-dihydro-2H-pyrrol-5-yl]-3,4-dihydro-2H-pyrrole

C22H24N2 — CID 100922703

IUPAC(2R)-2-benzyl-5-[(2R)-2-benzyl-3,4-dihydro-2H-pyrrol-5-yl]-3,4-dihydro-2H-pyrrole
SMILESc1ccc(C[C@H]2CCC(C3=N[C@@H](Cc4ccccc4)CC3)=N2)cc1
InChIInChI=1S/C22H24N2/c1-3-7-17(8-4-1)15-19-11-13-21(23-19)22-14-12-20(24-22)16-18-9-5-2-6-10-18/h1-10,19-20H,11-16H2/t19-,20-/m1/s1
InChIKeyLPOXSQBERAVQBE-WOJBJXKFSA-N
MW316.45 g/mol
LogP4.68
Rot. Bonds5

About (2R)-2-benzyl-5-[(2R)-2-benzyl-3,4-dihydro-2H-pyrrol-5-yl]-3,4-dihydro-2H-pyrrole

(2R)-2-benzyl-5-[(2R)-2-benzyl-3,4-dihydro-2H-pyrrol-5-yl]-3,4-dihydro-2H-pyrrole (PubChem CID 100922703) has the molecular formula C22H24N2 and a molecular weight of 316.45 g/mol. Its IUPAC name is (2R)-2-benzyl-5-[(2R)-2-benzyl-3,4-dihydro-2H-pyrrol-5-yl]-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name(2R)-2-benzyl-5-[(2R)-2-benzyl-3,4-dihydro-2H-pyrrol-5-yl]-3,4-dihydro-2H-pyrrole
PubChem CID100922703
Molecular FormulaC22H24N2
Molecular Weight316.45 g/mol
Exact Mass316.19
IUPAC Name(2R)-2-benzyl-5-[(2R)-2-benzyl-3,4-dihydro-2H-pyrrol-5-yl]-3,4-dihydro-2H-pyrrole
SMILESc1ccc(C[C@H]2CCC(C3=N[C@@H](Cc4ccccc4)CC3)=N2)cc1
InChIInChI=1S/C22H24N2/c1-3-7-17(8-4-1)15-19-11-13-21(23-19)22-14-12-20(24-22)16-18-9-5-2-6-10-18/h1-10,19-20H,11-16H2/t19-,20-/m1/s1
InChIKeyLPOXSQBERAVQBE-WOJBJXKFSA-N
XLogP4.68
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-bis(2-benzyl-3,4-dihydro-2H-pyrrol-5-yl)pyridine
CID 90286958
2-benzyl-5-ethoxy-3,4-dihydro-2H-pyrrole
CID 12764851
2-benzyl-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 15406765
(4S)-4-benzyl-2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole
CID 697622
N'-(2-benzyl-3,4-dihydro-2H-pyrrol-5-yl)acetohydrazide
CID 12764869
2,7-dibenzyl-1-azacycloocta-7,8-diene
CID 12672486
2-(2-methylpropyl)-5-phenyl-3,4-dihydro-2H-pyrrole
CID 174666856
(4S)-4-benzyl-2-[[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-phenylmethyl]-4,5-dihydro-1,3-oxazole
CID 102183101
2-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)phenol
CID 136749627
4-benzyl-N-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine
CID 63261342
(4S)-4-benzyl-2-[6-[6-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole
CID 146013653
(4S)-4-benzyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole
CID 102142832

Frequently Asked Questions

What is the IUPAC name of (2R)-2-benzyl-5-[(2R)-2-benzyl-3,4-dihydro-2H-pyrrol-5-yl]-3,4-dihydro-2H-pyrrole?
The IUPAC name of (2R)-2-benzyl-5-[(2R)-2-benzyl-3,4-dihydro-2H-pyrrol-5-yl]-3,4-dihydro-2H-pyrrole (CID 100922703) is (2R)-2-benzyl-5-[(2R)-2-benzyl-3,4-dihydro-2H-pyrrol-5-yl]-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for (2R)-2-benzyl-5-[(2R)-2-benzyl-3,4-dihydro-2H-pyrrol-5-yl]-3,4-dihydro-2H-pyrrole?
The canonical SMILES for (2R)-2-benzyl-5-[(2R)-2-benzyl-3,4-dihydro-2H-pyrrol-5-yl]-3,4-dihydro-2H-pyrrole is c1ccc(C[C@H]2CCC(C3=N[C@@H](Cc4ccccc4)CC3)=N2)cc1.
What is the InChIKey of (2R)-2-benzyl-5-[(2R)-2-benzyl-3,4-dihydro-2H-pyrrol-5-yl]-3,4-dihydro-2H-pyrrole?
The InChIKey is LPOXSQBERAVQBE-WOJBJXKFSA-N. The full InChI is InChI=1S/C22H24N2/c1-3-7-17(8-4-1)15-19-11-13-21(23-19)22-14-12-20(24-22)16-18-9-5-2-6-10-18/h1-10,19-20H,11-16H2/t19-,20-/m1/s1.
What are the key properties of (2R)-2-benzyl-5-[(2R)-2-benzyl-3,4-dihydro-2H-pyrrol-5-yl]-3,4-dihydro-2H-pyrrole?
(2R)-2-benzyl-5-[(2R)-2-benzyl-3,4-dihydro-2H-pyrrol-5-yl]-3,4-dihydro-2H-pyrrole has a molecular weight of 316.45 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-benzyl-5-[(2R)-2-benzyl-3,4-dihydro-2H-pyrrol-5-yl]-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 100922703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).