2,3-bis(2-pyrrolidin-2-yl-3H-benzimidazol-5-yl)quinoline

C31H29N7 — CID 175282242

IUPAC2,3-bis(2-pyrrolidin-2-yl-3H-benzimidazol-5-yl)quinoline
SMILESc1ccc2nc(-c3ccc4nc(C5CCCN5)[nH]c4c3)c(-c3ccc4nc(C5CCCN5)[nH]c4c3)cc2c1
InChIInChI=1S/C31H29N7/c1-2-6-22-19(5-1)15-21(18-9-11-23-27(16-18)37-30(35-23)25-7-3-13-32-25)29(34-22)20-10-12-24-28(17-20)38-31(36-24)26-8-4-14-33-26/h1-2,5-6,9-12,15-17,25-26,32-33H,3-4,7-8,13-14H2,(H,35,37)(H,36,38)
InChIKeyZOJPPXZSQWEROW-UHFFFAOYSA-N
MW499.62 g/mol
LogP6.17
Rot. Bonds4

About 2,3-bis(2-pyrrolidin-2-yl-3H-benzimidazol-5-yl)quinoline

2,3-bis(2-pyrrolidin-2-yl-3H-benzimidazol-5-yl)quinoline (PubChem CID 175282242) has the molecular formula C31H29N7 and a molecular weight of 499.62 g/mol. Its IUPAC name is 2,3-bis(2-pyrrolidin-2-yl-3H-benzimidazol-5-yl)quinoline.

Molecular Properties

Compound Name2,3-bis(2-pyrrolidin-2-yl-3H-benzimidazol-5-yl)quinoline
PubChem CID175282242
Molecular FormulaC31H29N7
Molecular Weight499.62 g/mol
Exact Mass499.25
IUPAC Name2,3-bis(2-pyrrolidin-2-yl-3H-benzimidazol-5-yl)quinoline
SMILESc1ccc2nc(-c3ccc4nc(C5CCCN5)[nH]c4c3)c(-c3ccc4nc(C5CCCN5)[nH]c4c3)cc2c1
InChIInChI=1S/C31H29N7/c1-2-6-22-19(5-1)15-21(18-9-11-23-27(16-18)37-30(35-23)25-7-3-13-32-25)29(34-22)20-10-12-24-28(17-20)38-31(36-24)26-8-4-14-33-26/h1-2,5-6,9-12,15-17,25-26,32-33H,3-4,7-8,13-14H2,(H,35,37)(H,36,38)
InChIKeyZOJPPXZSQWEROW-UHFFFAOYSA-N
XLogP6.17
TPSA94.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.62
LogP ≤ 56.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(2-pyrrolidin-2-yl-3H-benzimidazol-5-yl)quinoline?
The IUPAC name of 2,3-bis(2-pyrrolidin-2-yl-3H-benzimidazol-5-yl)quinoline (CID 175282242) is 2,3-bis(2-pyrrolidin-2-yl-3H-benzimidazol-5-yl)quinoline.
What is the SMILES notation for 2,3-bis(2-pyrrolidin-2-yl-3H-benzimidazol-5-yl)quinoline?
The canonical SMILES for 2,3-bis(2-pyrrolidin-2-yl-3H-benzimidazol-5-yl)quinoline is c1ccc2nc(-c3ccc4nc(C5CCCN5)[nH]c4c3)c(-c3ccc4nc(C5CCCN5)[nH]c4c3)cc2c1.
What is the InChIKey of 2,3-bis(2-pyrrolidin-2-yl-3H-benzimidazol-5-yl)quinoline?
The InChIKey is ZOJPPXZSQWEROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N7/c1-2-6-22-19(5-1)15-21(18-9-11-23-27(16-18)37-30(35-23)25-7-3-13-32-25)29(34-22)20-10-12-24-28(17-20)38-31(36-24)26-8-4-14-33-26/h1-2,5-6,9-12,15-17,25-26,32-33H,3-4,7-8,13-14H2,(H,35,37)(H,36,38).
What are the key properties of 2,3-bis(2-pyrrolidin-2-yl-3H-benzimidazol-5-yl)quinoline?
2,3-bis(2-pyrrolidin-2-yl-3H-benzimidazol-5-yl)quinoline has a molecular weight of 499.62 g/mol, XLogP of 6.17, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(2-pyrrolidin-2-yl-3H-benzimidazol-5-yl)quinoline is sourced from PubChem (CID 175282242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).