1-[3-acetyl-2-(2-bromophenyl)-5-chloro-2H-benzimidazol-1-yl]ethanone

C17H14BrClN2O2 — CID 122374107

IUPAC1-[3-acetyl-2-(2-bromophenyl)-5-chloro-2H-benzimidazol-1-yl]ethanone
SMILESCC(=O)N1c2ccc(Cl)cc2N(C(C)=O)C1c1ccccc1Br
InChIInChI=1S/C17H14BrClN2O2/c1-10(22)20-15-8-7-12(19)9-16(15)21(11(2)23)17(20)13-5-3-4-6-14(13)18/h3-9,17H,1-2H3
InChIKeyIIABAAAXJGXTJC-UHFFFAOYSA-N
MW393.67 g/mol
LogP4.52
Rot. Bonds1

About 1-[3-acetyl-2-(2-bromophenyl)-5-chloro-2H-benzimidazol-1-yl]ethanone

1-[3-acetyl-2-(2-bromophenyl)-5-chloro-2H-benzimidazol-1-yl]ethanone (PubChem CID 122374107) has the molecular formula C17H14BrClN2O2 and a molecular weight of 393.67 g/mol. Its IUPAC name is 1-[3-acetyl-2-(2-bromophenyl)-5-chloro-2H-benzimidazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-acetyl-2-(2-bromophenyl)-5-chloro-2H-benzimidazol-1-yl]ethanone
PubChem CID122374107
Molecular FormulaC17H14BrClN2O2
Molecular Weight393.67 g/mol
Exact Mass391.99
IUPAC Name1-[3-acetyl-2-(2-bromophenyl)-5-chloro-2H-benzimidazol-1-yl]ethanone
SMILESCC(=O)N1c2ccc(Cl)cc2N(C(C)=O)C1c1ccccc1Br
InChIInChI=1S/C17H14BrClN2O2/c1-10(22)20-15-8-7-12(19)9-16(15)21(11(2)23)17(20)13-5-3-4-6-14(13)18/h3-9,17H,1-2H3
InChIKeyIIABAAAXJGXTJC-UHFFFAOYSA-N
XLogP4.52
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.67
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-acetyl-2-(2-bromophenyl)-5-chloro-2H-benzimidazol-1-yl]ethanone?
The IUPAC name of 1-[3-acetyl-2-(2-bromophenyl)-5-chloro-2H-benzimidazol-1-yl]ethanone (CID 122374107) is 1-[3-acetyl-2-(2-bromophenyl)-5-chloro-2H-benzimidazol-1-yl]ethanone.
What is the SMILES notation for 1-[3-acetyl-2-(2-bromophenyl)-5-chloro-2H-benzimidazol-1-yl]ethanone?
The canonical SMILES for 1-[3-acetyl-2-(2-bromophenyl)-5-chloro-2H-benzimidazol-1-yl]ethanone is CC(=O)N1c2ccc(Cl)cc2N(C(C)=O)C1c1ccccc1Br.
What is the InChIKey of 1-[3-acetyl-2-(2-bromophenyl)-5-chloro-2H-benzimidazol-1-yl]ethanone?
The InChIKey is IIABAAAXJGXTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrClN2O2/c1-10(22)20-15-8-7-12(19)9-16(15)21(11(2)23)17(20)13-5-3-4-6-14(13)18/h3-9,17H,1-2H3.
What are the key properties of 1-[3-acetyl-2-(2-bromophenyl)-5-chloro-2H-benzimidazol-1-yl]ethanone?
1-[3-acetyl-2-(2-bromophenyl)-5-chloro-2H-benzimidazol-1-yl]ethanone has a molecular weight of 393.67 g/mol, XLogP of 4.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-acetyl-2-(2-bromophenyl)-5-chloro-2H-benzimidazol-1-yl]ethanone is sourced from PubChem (CID 122374107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).