3,4-dihydro-1H-isoquinolin-2-yl-(2-pyridin-3-yl-3H-benzimidazol-5-yl)methanone

C22H18N4O — CID 139983113

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-(2-pyridin-3-yl-3H-benzimidazol-5-yl)methanone
SMILESO=C(c1ccc2nc(-c3cccnc3)[nH]c2c1)N1CCc2ccccc2C1
InChIInChI=1S/C22H18N4O/c27-22(26-11-9-15-4-1-2-5-18(15)14-26)16-7-8-19-20(12-16)25-21(24-19)17-6-3-10-23-13-17/h1-8,10,12-13H,9,11,14H2,(H,24,25)
InChIKeyZBGXVRXIDBMAAH-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.82
Rot. Bonds2

About 3,4-dihydro-1H-isoquinolin-2-yl-(2-pyridin-3-yl-3H-benzimidazol-5-yl)methanone

3,4-dihydro-1H-isoquinolin-2-yl-(2-pyridin-3-yl-3H-benzimidazol-5-yl)methanone (PubChem CID 139983113) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-(2-pyridin-3-yl-3H-benzimidazol-5-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-(2-pyridin-3-yl-3H-benzimidazol-5-yl)methanone
PubChem CID139983113
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-(2-pyridin-3-yl-3H-benzimidazol-5-yl)methanone
SMILESO=C(c1ccc2nc(-c3cccnc3)[nH]c2c1)N1CCc2ccccc2C1
InChIInChI=1S/C22H18N4O/c27-22(26-11-9-15-4-1-2-5-18(15)14-26)16-7-8-19-20(12-16)25-21(24-19)17-6-3-10-23-13-17/h1-8,10,12-13H,9,11,14H2,(H,24,25)
InChIKeyZBGXVRXIDBMAAH-UHFFFAOYSA-N
XLogP3.82
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,4-dihydro-1H-isoquinolin-2-yl-(2-pyridin-3-yl-3H-benzimidazol-5-yl)methanone with MolForge

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Related Compounds

benzyl 4-(2-pyridin-3-yl-3H-benzimidazole-5-carbonyl)piperazine-1-carboxylate
CID 134346186
(2-pyridin-3-yl-3H-benzimidazol-5-yl)-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone
CID 134346217
pyridin-4-yl-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 77085984
3,4-dihydro-1H-isoquinolin-2-yl-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone
CID 30134172
(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-3-ylmethanone
CID 47180831
[2-(4-ethylpiperazin-1-yl)-2-oxoethyl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate
CID 23943754
5-methoxy-1'-(2-pyridin-3-yl-3H-benzimidazole-5-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 46884712
1-(4-pyridin-3-ylbenzoyl)pyrrolidin-3-one
CID 142687637
2-pyridin-3-yl-1H-benzo[f]benzimidazole
CID 3152015
phenyl-[3-[4-(2-phenyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 66840430
7,8-dihydro-5H-1,6-naphthyridin-6-yl(1H-indazol-5-yl)methanone
CID 166197233
3,4-dihydro-1H-isoquinolin-2-yl-(3-pyrimidin-2-yloxyphenyl)methanone
CID 162661158

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-(2-pyridin-3-yl-3H-benzimidazol-5-yl)methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-(2-pyridin-3-yl-3H-benzimidazol-5-yl)methanone (CID 139983113) is 3,4-dihydro-1H-isoquinolin-2-yl-(2-pyridin-3-yl-3H-benzimidazol-5-yl)methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-(2-pyridin-3-yl-3H-benzimidazol-5-yl)methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-(2-pyridin-3-yl-3H-benzimidazol-5-yl)methanone is O=C(c1ccc2nc(-c3cccnc3)[nH]c2c1)N1CCc2ccccc2C1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-(2-pyridin-3-yl-3H-benzimidazol-5-yl)methanone?
The InChIKey is ZBGXVRXIDBMAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O/c27-22(26-11-9-15-4-1-2-5-18(15)14-26)16-7-8-19-20(12-16)25-21(24-19)17-6-3-10-23-13-17/h1-8,10,12-13H,9,11,14H2,(H,24,25).
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-(2-pyridin-3-yl-3H-benzimidazol-5-yl)methanone?
3,4-dihydro-1H-isoquinolin-2-yl-(2-pyridin-3-yl-3H-benzimidazol-5-yl)methanone has a molecular weight of 354.41 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinolin-2-yl-(2-pyridin-3-yl-3H-benzimidazol-5-yl)methanone is sourced from PubChem (CID 139983113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).