2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-1-naphthalen-1-ylethanone

C21H19N3O2 — CID 2868119

IUPAC2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-1-naphthalen-1-ylethanone
SMILESO=C(Cn1c(NCCO)nc2ccccc21)c1cccc2ccccc12
InChIInChI=1S/C21H19N3O2/c25-13-12-22-21-23-18-10-3-4-11-19(18)24(21)14-20(26)17-9-5-7-15-6-1-2-8-16(15)17/h1-11,25H,12-14H2,(H,22,23)
InChIKeyQUDQNVWXIKCFPW-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.48
Rot. Bonds6

About 2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-1-naphthalen-1-ylethanone

2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-1-naphthalen-1-ylethanone (PubChem CID 2868119) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-1-naphthalen-1-ylethanone.

Molecular Properties

Compound Name2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-1-naphthalen-1-ylethanone
PubChem CID2868119
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-1-naphthalen-1-ylethanone
SMILESO=C(Cn1c(NCCO)nc2ccccc21)c1cccc2ccccc12
InChIInChI=1S/C21H19N3O2/c25-13-12-22-21-23-18-10-3-4-11-19(18)24(21)14-20(26)17-9-5-7-15-6-1-2-8-16(15)17/h1-11,25H,12-14H2,(H,22,23)
InChIKeyQUDQNVWXIKCFPW-UHFFFAOYSA-N
XLogP3.48
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-1-naphthalen-1-ylethanone?
The IUPAC name of 2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-1-naphthalen-1-ylethanone (CID 2868119) is 2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-1-naphthalen-1-ylethanone.
What is the SMILES notation for 2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-1-naphthalen-1-ylethanone?
The canonical SMILES for 2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-1-naphthalen-1-ylethanone is O=C(Cn1c(NCCO)nc2ccccc21)c1cccc2ccccc12.
What is the InChIKey of 2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-1-naphthalen-1-ylethanone?
The InChIKey is QUDQNVWXIKCFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c25-13-12-22-21-23-18-10-3-4-11-19(18)24(21)14-20(26)17-9-5-7-15-6-1-2-8-16(15)17/h1-11,25H,12-14H2,(H,22,23).
What are the key properties of 2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-1-naphthalen-1-ylethanone?
2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-1-naphthalen-1-ylethanone has a molecular weight of 345.40 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-1-naphthalen-1-ylethanone is sourced from PubChem (CID 2868119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).