2-methyl-5-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazolo[5,1-a]isoquinoline

C22H20N4 — CID 118708360

IUPAC2-methyl-5-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazolo[5,1-a]isoquinoline
SMILESCc1cc2c3ccccc3cc(CCc3nc4ccccc4n3C)n2n1
InChIInChI=1S/C22H20N4/c1-15-13-21-18-8-4-3-7-16(18)14-17(26(21)24-15)11-12-22-23-19-9-5-6-10-20(19)25(22)2/h3-10,13-14H,11-12H2,1-2H3
InChIKeySSDVSQUNASSUPI-UHFFFAOYSA-N
MW340.43 g/mol
LogP4.47
Rot. Bonds3

About 2-methyl-5-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazolo[5,1-a]isoquinoline

2-methyl-5-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazolo[5,1-a]isoquinoline (PubChem CID 118708360) has the molecular formula C22H20N4 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-methyl-5-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazolo[5,1-a]isoquinoline.

Molecular Properties

Compound Name2-methyl-5-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazolo[5,1-a]isoquinoline
PubChem CID118708360
Molecular FormulaC22H20N4
Molecular Weight340.43 g/mol
Exact Mass340.17
IUPAC Name2-methyl-5-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazolo[5,1-a]isoquinoline
SMILESCc1cc2c3ccccc3cc(CCc3nc4ccccc4n3C)n2n1
InChIInChI=1S/C22H20N4/c1-15-13-21-18-8-4-3-7-16(18)14-17(26(21)24-15)11-12-22-23-19-9-5-6-10-20(19)25(22)2/h3-10,13-14H,11-12H2,1-2H3
InChIKeySSDVSQUNASSUPI-UHFFFAOYSA-N
XLogP4.47
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazolo[5,1-a]isoquinoline?
The IUPAC name of 2-methyl-5-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazolo[5,1-a]isoquinoline (CID 118708360) is 2-methyl-5-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazolo[5,1-a]isoquinoline.
What is the SMILES notation for 2-methyl-5-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazolo[5,1-a]isoquinoline?
The canonical SMILES for 2-methyl-5-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazolo[5,1-a]isoquinoline is Cc1cc2c3ccccc3cc(CCc3nc4ccccc4n3C)n2n1.
What is the InChIKey of 2-methyl-5-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazolo[5,1-a]isoquinoline?
The InChIKey is SSDVSQUNASSUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4/c1-15-13-21-18-8-4-3-7-16(18)14-17(26(21)24-15)11-12-22-23-19-9-5-6-10-20(19)25(22)2/h3-10,13-14H,11-12H2,1-2H3.
What are the key properties of 2-methyl-5-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazolo[5,1-a]isoquinoline?
2-methyl-5-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazolo[5,1-a]isoquinoline has a molecular weight of 340.43 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazolo[5,1-a]isoquinoline is sourced from PubChem (CID 118708360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).