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

C17H15N3O — CID 2510481

IUPAC3H-benzimidazol-5-yl(3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESO=C(c1ccc2nc[nH]c2c1)N1CCc2ccccc2C1
InChIInChI=1S/C17H15N3O/c21-17(13-5-6-15-16(9-13)19-11-18-15)20-8-7-12-3-1-2-4-14(12)10-20/h1-6,9,11H,7-8,10H2,(H,18,19)
InChIKeyFUCSQHGPYAENJH-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.76
Rot. Bonds1

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

3H-benzimidazol-5-yl(3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 2510481) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 3H-benzimidazol-5-yl(3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Name3H-benzimidazol-5-yl(3,4-dihydro-1H-isoquinolin-2-yl)methanone
PubChem CID2510481
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name3H-benzimidazol-5-yl(3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESO=C(c1ccc2nc[nH]c2c1)N1CCc2ccccc2C1
InChIInChI=1S/C17H15N3O/c21-17(13-5-6-15-16(9-13)19-11-18-15)20-8-7-12-3-1-2-4-14(12)10-20/h1-6,9,11H,7-8,10H2,(H,18,19)
InChIKeyFUCSQHGPYAENJH-UHFFFAOYSA-N
XLogP2.76
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3H-benzimidazol-5-yl(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The IUPAC name of 3H-benzimidazol-5-yl(3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 2510481) is 3H-benzimidazol-5-yl(3,4-dihydro-1H-isoquinolin-2-yl)methanone.
What is the SMILES notation for 3H-benzimidazol-5-yl(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The canonical SMILES for 3H-benzimidazol-5-yl(3,4-dihydro-1H-isoquinolin-2-yl)methanone is O=C(c1ccc2nc[nH]c2c1)N1CCc2ccccc2C1.
What is the InChIKey of 3H-benzimidazol-5-yl(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The InChIKey is FUCSQHGPYAENJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c21-17(13-5-6-15-16(9-13)19-11-18-15)20-8-7-12-3-1-2-4-14(12)10-20/h1-6,9,11H,7-8,10H2,(H,18,19).
What are the key properties of 3H-benzimidazol-5-yl(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
3H-benzimidazol-5-yl(3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 277.33 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-benzimidazol-5-yl(3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 2510481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).