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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Related Compounds

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CID 40320
Bi-187004
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Avp-13358
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(1H-Benzimidazol-6-yl)(phenyl)methanone
CID 648179
N-[(1H-1,3-benzodiazol-2-yl)methyl]benzamide
CID 687915
2-(ethylureido)-N-methyl-5-(pyridine-3-yl)-1H-benzo[d]imidazole-7-carboxamide
CID 10427243
2-(4-Piperidin-4-ylphenyl)-1H-benzimidazole-4-carboxamide
CID 16665391
6-(Benzimidazol-1-yl)-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one
CID 25217064
1-[(3,5-dichloro-2-pyridinyl)methyl]-N-[(1R)-1-phenylpropyl]benzimidazole-5-carboxamide
CID 44132339
4-Amino-3-{6-[(4-methylpiperazinyl)carbonyl]benzimidazol-2-yl}hydroquinolin-2-one
CID 135674144
N-(2-amino-5-phenylphenyl)-1-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide
CID 162710762

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).