2-(1-ethyl-2-methylbenzimidazol-5-yl)-5H-[1,2,4]triazolo[5,1-a]isoindole

C19H17N5 — CID 2347892

IUPAC2-(1-ethyl-2-methylbenzimidazol-5-yl)-5H-[1,2,4]triazolo[5,1-a]isoindole
SMILESCCn1c(C)nc2cc(-c3nc4n(n3)Cc3ccccc3-4)ccc21
InChIInChI=1S/C19H17N5/c1-3-23-12(2)20-16-10-13(8-9-17(16)23)18-21-19-15-7-5-4-6-14(15)11-24(19)22-18/h4-10H,3,11H2,1-2H3
InChIKeyLKXRGCHIXZTUBX-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.65
Rot. Bonds2

About 2-(1-ethyl-2-methylbenzimidazol-5-yl)-5H-[1,2,4]triazolo[5,1-a]isoindole

2-(1-ethyl-2-methylbenzimidazol-5-yl)-5H-[1,2,4]triazolo[5,1-a]isoindole (PubChem CID 2347892) has the molecular formula C19H17N5 and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-(1-ethyl-2-methylbenzimidazol-5-yl)-5H-[1,2,4]triazolo[5,1-a]isoindole.

Molecular Properties

Compound Name2-(1-ethyl-2-methylbenzimidazol-5-yl)-5H-[1,2,4]triazolo[5,1-a]isoindole
PubChem CID2347892
Molecular FormulaC19H17N5
Molecular Weight315.38 g/mol
Exact Mass315.15
IUPAC Name2-(1-ethyl-2-methylbenzimidazol-5-yl)-5H-[1,2,4]triazolo[5,1-a]isoindole
SMILESCCn1c(C)nc2cc(-c3nc4n(n3)Cc3ccccc3-4)ccc21
InChIInChI=1S/C19H17N5/c1-3-23-12(2)20-16-10-13(8-9-17(16)23)18-21-19-15-7-5-4-6-14(15)11-24(19)22-18/h4-10H,3,11H2,1-2H3
InChIKeyLKXRGCHIXZTUBX-UHFFFAOYSA-N
XLogP3.65
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-2-methylbenzimidazol-5-yl)-5H-[1,2,4]triazolo[5,1-a]isoindole?
The IUPAC name of 2-(1-ethyl-2-methylbenzimidazol-5-yl)-5H-[1,2,4]triazolo[5,1-a]isoindole (CID 2347892) is 2-(1-ethyl-2-methylbenzimidazol-5-yl)-5H-[1,2,4]triazolo[5,1-a]isoindole.
What is the SMILES notation for 2-(1-ethyl-2-methylbenzimidazol-5-yl)-5H-[1,2,4]triazolo[5,1-a]isoindole?
The canonical SMILES for 2-(1-ethyl-2-methylbenzimidazol-5-yl)-5H-[1,2,4]triazolo[5,1-a]isoindole is CCn1c(C)nc2cc(-c3nc4n(n3)Cc3ccccc3-4)ccc21.
What is the InChIKey of 2-(1-ethyl-2-methylbenzimidazol-5-yl)-5H-[1,2,4]triazolo[5,1-a]isoindole?
The InChIKey is LKXRGCHIXZTUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5/c1-3-23-12(2)20-16-10-13(8-9-17(16)23)18-21-19-15-7-5-4-6-14(15)11-24(19)22-18/h4-10H,3,11H2,1-2H3.
What are the key properties of 2-(1-ethyl-2-methylbenzimidazol-5-yl)-5H-[1,2,4]triazolo[5,1-a]isoindole?
2-(1-ethyl-2-methylbenzimidazol-5-yl)-5H-[1,2,4]triazolo[5,1-a]isoindole has a molecular weight of 315.38 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-2-methylbenzimidazol-5-yl)-5H-[1,2,4]triazolo[5,1-a]isoindole is sourced from PubChem (CID 2347892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).