1-(4-bromophenyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanone;hydrobromide

C17H17Br2N3O2 — CID 2851199

IUPAC1-(4-bromophenyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanone;hydrobromide
SMILESBr.O=C(Cn1c(NCCO)nc2ccccc21)c1ccc(Br)cc1
InChIInChI=1S/C17H16BrN3O2.BrH/c18-13-7-5-12(6-8-13)16(23)11-21-15-4-2-1-3-14(15)20-17(21)19-9-10-22;/h1-8,22H,9-11H2,(H,19,20);1H
InChIKeyPTVMUUROEGDHOT-UHFFFAOYSA-N
MW455.15 g/mol
LogP3.66
Rot. Bonds6

About 1-(4-bromophenyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanone;hydrobromide

1-(4-bromophenyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanone;hydrobromide (PubChem CID 2851199) has the molecular formula C17H17Br2N3O2 and a molecular weight of 455.15 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanone;hydrobromide.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanone;hydrobromide
PubChem CID2851199
Molecular FormulaC17H17Br2N3O2
Molecular Weight455.15 g/mol
Exact Mass452.97
IUPAC Name1-(4-bromophenyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanone;hydrobromide
SMILESBr.O=C(Cn1c(NCCO)nc2ccccc21)c1ccc(Br)cc1
InChIInChI=1S/C17H16BrN3O2.BrH/c18-13-7-5-12(6-8-13)16(23)11-21-15-4-2-1-3-14(15)20-17(21)19-9-10-22;/h1-8,22H,9-11H2,(H,19,20);1H
InChIKeyPTVMUUROEGDHOT-UHFFFAOYSA-N
XLogP3.66
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.15
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanone;hydrobromide?
The IUPAC name of 1-(4-bromophenyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanone;hydrobromide (CID 2851199) is 1-(4-bromophenyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanone;hydrobromide.
What is the SMILES notation for 1-(4-bromophenyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanone;hydrobromide?
The canonical SMILES for 1-(4-bromophenyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanone;hydrobromide is Br.O=C(Cn1c(NCCO)nc2ccccc21)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanone;hydrobromide?
The InChIKey is PTVMUUROEGDHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O2.BrH/c18-13-7-5-12(6-8-13)16(23)11-21-15-4-2-1-3-14(15)20-17(21)19-9-10-22;/h1-8,22H,9-11H2,(H,19,20);1H.
What are the key properties of 1-(4-bromophenyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanone;hydrobromide?
1-(4-bromophenyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanone;hydrobromide has a molecular weight of 455.15 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanone;hydrobromide is sourced from PubChem (CID 2851199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).