1-benzyl-6-chloro-2-pyrrolidin-2-ylbenzimidazole

C18H18ClN3 — CID 46311065

IUPAC1-benzyl-6-chloro-2-pyrrolidin-2-ylbenzimidazole
SMILESClc1ccc2nc(C3CCCN3)n(Cc3ccccc3)c2c1
InChIInChI=1S/C18H18ClN3/c19-14-8-9-15-17(11-14)22(12-13-5-2-1-3-6-13)18(21-15)16-7-4-10-20-16/h1-3,5-6,8-9,11,16,20H,4,7,10,12H2
InChIKeyLGOBRMMODSZRKK-UHFFFAOYSA-N
MW311.82 g/mol
LogP4.16
Rot. Bonds3

About 1-benzyl-6-chloro-2-pyrrolidin-2-ylbenzimidazole

1-benzyl-6-chloro-2-pyrrolidin-2-ylbenzimidazole (PubChem CID 46311065) has the molecular formula C18H18ClN3 and a molecular weight of 311.82 g/mol. Its IUPAC name is 1-benzyl-6-chloro-2-pyrrolidin-2-ylbenzimidazole.

Molecular Properties

Compound Name1-benzyl-6-chloro-2-pyrrolidin-2-ylbenzimidazole
PubChem CID46311065
Molecular FormulaC18H18ClN3
Molecular Weight311.82 g/mol
Exact Mass311.12
IUPAC Name1-benzyl-6-chloro-2-pyrrolidin-2-ylbenzimidazole
SMILESClc1ccc2nc(C3CCCN3)n(Cc3ccccc3)c2c1
InChIInChI=1S/C18H18ClN3/c19-14-8-9-15-17(11-14)22(12-13-5-2-1-3-6-13)18(21-15)16-7-4-10-20-16/h1-3,5-6,8-9,11,16,20H,4,7,10,12H2
InChIKeyLGOBRMMODSZRKK-UHFFFAOYSA-N
XLogP4.16
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.82
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-chloro-2-pyrrolidin-2-ylbenzimidazole?
The IUPAC name of 1-benzyl-6-chloro-2-pyrrolidin-2-ylbenzimidazole (CID 46311065) is 1-benzyl-6-chloro-2-pyrrolidin-2-ylbenzimidazole.
What is the SMILES notation for 1-benzyl-6-chloro-2-pyrrolidin-2-ylbenzimidazole?
The canonical SMILES for 1-benzyl-6-chloro-2-pyrrolidin-2-ylbenzimidazole is Clc1ccc2nc(C3CCCN3)n(Cc3ccccc3)c2c1.
What is the InChIKey of 1-benzyl-6-chloro-2-pyrrolidin-2-ylbenzimidazole?
The InChIKey is LGOBRMMODSZRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3/c19-14-8-9-15-17(11-14)22(12-13-5-2-1-3-6-13)18(21-15)16-7-4-10-20-16/h1-3,5-6,8-9,11,16,20H,4,7,10,12H2.
What are the key properties of 1-benzyl-6-chloro-2-pyrrolidin-2-ylbenzimidazole?
1-benzyl-6-chloro-2-pyrrolidin-2-ylbenzimidazole has a molecular weight of 311.82 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-chloro-2-pyrrolidin-2-ylbenzimidazole is sourced from PubChem (CID 46311065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).