2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]-3-naphthalen-2-ylpropanamide

C23H24N4O2 — CID 25067439

IUPAC2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]-3-naphthalen-2-ylpropanamide
SMILESNC(=O)C(Cc1ccc2ccccc2c1)n1c(NCCCO)nc2ccccc21
InChIInChI=1S/C23H24N4O2/c24-22(29)21(15-16-10-11-17-6-1-2-7-18(17)14-16)27-20-9-4-3-8-19(20)26-23(27)25-12-5-13-28/h1-4,6-11,14,21,28H,5,12-13,15H2,(H2,24,29)(H,25,26)
InChIKeyAIQIYRAPWPCZFZ-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.25
Rot. Bonds8

About 2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]-3-naphthalen-2-ylpropanamide

2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]-3-naphthalen-2-ylpropanamide (PubChem CID 25067439) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]-3-naphthalen-2-ylpropanamide.

Molecular Properties

Compound Name2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]-3-naphthalen-2-ylpropanamide
PubChem CID25067439
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]-3-naphthalen-2-ylpropanamide
SMILESNC(=O)C(Cc1ccc2ccccc2c1)n1c(NCCCO)nc2ccccc21
InChIInChI=1S/C23H24N4O2/c24-22(29)21(15-16-10-11-17-6-1-2-7-18(17)14-16)27-20-9-4-3-8-19(20)26-23(27)25-12-5-13-28/h1-4,6-11,14,21,28H,5,12-13,15H2,(H2,24,29)(H,25,26)
InChIKeyAIQIYRAPWPCZFZ-UHFFFAOYSA-N
XLogP3.25
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]-3-naphthalen-2-ylpropanamide?
The IUPAC name of 2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]-3-naphthalen-2-ylpropanamide (CID 25067439) is 2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]-3-naphthalen-2-ylpropanamide.
What is the SMILES notation for 2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]-3-naphthalen-2-ylpropanamide?
The canonical SMILES for 2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]-3-naphthalen-2-ylpropanamide is NC(=O)C(Cc1ccc2ccccc2c1)n1c(NCCCO)nc2ccccc21.
What is the InChIKey of 2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]-3-naphthalen-2-ylpropanamide?
The InChIKey is AIQIYRAPWPCZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c24-22(29)21(15-16-10-11-17-6-1-2-7-18(17)14-16)27-20-9-4-3-8-19(20)26-23(27)25-12-5-13-28/h1-4,6-11,14,21,28H,5,12-13,15H2,(H2,24,29)(H,25,26).
What are the key properties of 2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]-3-naphthalen-2-ylpropanamide?
2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]-3-naphthalen-2-ylpropanamide has a molecular weight of 388.47 g/mol, XLogP of 3.25, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]-3-naphthalen-2-ylpropanamide is sourced from PubChem (CID 25067439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).