2-[2-[4-(3H-benzimidazol-5-yl)-1,3-dihydroisoindol-2-yl]ethyl]quinoline

C26H22N4 — CID 141362054

IUPAC2-[2-[4-(3H-benzimidazol-5-yl)-1,3-dihydroisoindol-2-yl]ethyl]quinoline
SMILESc1cc2c(c(-c3ccc4nc[nH]c4c3)c1)CN(CCc1ccc3ccccc3n1)C2
InChIInChI=1S/C26H22N4/c1-2-7-24-18(4-1)8-10-21(29-24)12-13-30-15-20-5-3-6-22(23(20)16-30)19-9-11-25-26(14-19)28-17-27-25/h1-11,14,17H,12-13,15-16H2,(H,27,28)
InChIKeyZAENRNYAPJBILZ-UHFFFAOYSA-N
MW390.49 g/mol
LogP5.34
Rot. Bonds4

About 2-[2-[4-(3H-benzimidazol-5-yl)-1,3-dihydroisoindol-2-yl]ethyl]quinoline

2-[2-[4-(3H-benzimidazol-5-yl)-1,3-dihydroisoindol-2-yl]ethyl]quinoline (PubChem CID 141362054) has the molecular formula C26H22N4 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-[2-[4-(3H-benzimidazol-5-yl)-1,3-dihydroisoindol-2-yl]ethyl]quinoline.

Molecular Properties

Compound Name2-[2-[4-(3H-benzimidazol-5-yl)-1,3-dihydroisoindol-2-yl]ethyl]quinoline
PubChem CID141362054
Molecular FormulaC26H22N4
Molecular Weight390.49 g/mol
Exact Mass390.18
IUPAC Name2-[2-[4-(3H-benzimidazol-5-yl)-1,3-dihydroisoindol-2-yl]ethyl]quinoline
SMILESc1cc2c(c(-c3ccc4nc[nH]c4c3)c1)CN(CCc1ccc3ccccc3n1)C2
InChIInChI=1S/C26H22N4/c1-2-7-24-18(4-1)8-10-21(29-24)12-13-30-15-20-5-3-6-22(23(20)16-30)19-9-11-25-26(14-19)28-17-27-25/h1-11,14,17H,12-13,15-16H2,(H,27,28)
InChIKeyZAENRNYAPJBILZ-UHFFFAOYSA-N
XLogP5.34
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.49
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-[4-(3H-benzimidazol-5-yl)-1,3-dihydroisoindol-2-yl]ethyl]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[4-(2-chloro-4-pyridinyl)-1,3-dihydroisoindol-2-yl]ethyl]quinoline
CID 123740790
2-[2-[4-(4-fluorophenyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]quinoline
CID 71152387
2-[2-[4-(3,6-dimethoxypyridazin-4-yl)-1,3-dihydroisoindol-2-yl]ethyl]quinoline
CID 71152577
5-[3-oxo-2-(2-quinolin-2-ylethyl)-1H-isoindol-4-yl]-1,3-dihydrobenzimidazol-2-one
CID 71149359
6-[3-oxo-2-(2-quinolin-2-ylethyl)-1H-isoindol-4-yl]-3H-quinazolin-4-one;2,2,2-trifluoroacetic acid
CID 136618015
2-[2-[4-(1H-pyrazol-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]quinoline
CID 71152219
5-[2-(4-pyridin-4-yl-1,3-dihydroisoindol-2-yl)ethyl]thieno[3,2-b]pyridine
CID 141362078
7-(2,3-dihydro-1H-indol-5-yl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 141362065
7-(2-chloro-4-pyridinyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71499204
4-[[2-(3H-benzimidazol-5-yl)phenyl]methyl]morpholine
CID 29185404
2-(3H-benzimidazol-5-yl)phenol
CID 162260962
7-(1,3-benzodioxol-5-yl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149628

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(3H-benzimidazol-5-yl)-1,3-dihydroisoindol-2-yl]ethyl]quinoline?
The IUPAC name of 2-[2-[4-(3H-benzimidazol-5-yl)-1,3-dihydroisoindol-2-yl]ethyl]quinoline (CID 141362054) is 2-[2-[4-(3H-benzimidazol-5-yl)-1,3-dihydroisoindol-2-yl]ethyl]quinoline.
What is the SMILES notation for 2-[2-[4-(3H-benzimidazol-5-yl)-1,3-dihydroisoindol-2-yl]ethyl]quinoline?
The canonical SMILES for 2-[2-[4-(3H-benzimidazol-5-yl)-1,3-dihydroisoindol-2-yl]ethyl]quinoline is c1cc2c(c(-c3ccc4nc[nH]c4c3)c1)CN(CCc1ccc3ccccc3n1)C2.
What is the InChIKey of 2-[2-[4-(3H-benzimidazol-5-yl)-1,3-dihydroisoindol-2-yl]ethyl]quinoline?
The InChIKey is ZAENRNYAPJBILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4/c1-2-7-24-18(4-1)8-10-21(29-24)12-13-30-15-20-5-3-6-22(23(20)16-30)19-9-11-25-26(14-19)28-17-27-25/h1-11,14,17H,12-13,15-16H2,(H,27,28).
What are the key properties of 2-[2-[4-(3H-benzimidazol-5-yl)-1,3-dihydroisoindol-2-yl]ethyl]quinoline?
2-[2-[4-(3H-benzimidazol-5-yl)-1,3-dihydroisoindol-2-yl]ethyl]quinoline has a molecular weight of 390.49 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(3H-benzimidazol-5-yl)-1,3-dihydroisoindol-2-yl]ethyl]quinoline is sourced from PubChem (CID 141362054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).