3-(1H-benzimidazol-2-yl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-N-methylpropanamide

C23H28N4O — CID 134334487

IUPAC3-(1H-benzimidazol-2-yl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-N-methylpropanamide
SMILESCN(CCCN1CCc2ccccc2C1)C(=O)CCc1nc2ccccc2[nH]1
InChIInChI=1S/C23H28N4O/c1-26(14-6-15-27-16-13-18-7-2-3-8-19(18)17-27)23(28)12-11-22-24-20-9-4-5-10-21(20)25-22/h2-5,7-10H,6,11-17H2,1H3,(H,24,25)
InChIKeyHLLZWZAMLHULED-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.40
Rot. Bonds7

About 3-(1H-benzimidazol-2-yl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-N-methylpropanamide

3-(1H-benzimidazol-2-yl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-N-methylpropanamide (PubChem CID 134334487) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-N-methylpropanamide
PubChem CID134334487
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name3-(1H-benzimidazol-2-yl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-N-methylpropanamide
SMILESCN(CCCN1CCc2ccccc2C1)C(=O)CCc1nc2ccccc2[nH]1
InChIInChI=1S/C23H28N4O/c1-26(14-6-15-27-16-13-18-7-2-3-8-19(18)17-27)23(28)12-11-22-24-20-9-4-5-10-21(20)25-22/h2-5,7-10H,6,11-17H2,1H3,(H,24,25)
InChIKeyHLLZWZAMLHULED-UHFFFAOYSA-N
XLogP3.40
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-N-ethylpropanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-N-methylpropanamide?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-N-methylpropanamide (CID 134334487) is 3-(1H-benzimidazol-2-yl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-N-methylpropanamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-N-methylpropanamide?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-N-methylpropanamide is CN(CCCN1CCc2ccccc2C1)C(=O)CCc1nc2ccccc2[nH]1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-N-methylpropanamide?
The InChIKey is HLLZWZAMLHULED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-26(14-6-15-27-16-13-18-7-2-3-8-19(18)17-27)23(28)12-11-22-24-20-9-4-5-10-21(20)25-22/h2-5,7-10H,6,11-17H2,1H3,(H,24,25).
What are the key properties of 3-(1H-benzimidazol-2-yl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-N-methylpropanamide?
3-(1H-benzimidazol-2-yl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-N-methylpropanamide has a molecular weight of 376.50 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-N-methylpropanamide is sourced from PubChem (CID 134334487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).