1H-benzimidazol-2-yl-(2-bromophenyl)methanone

C14H9BrN2O — CID 13260204

IUPAC1H-benzimidazol-2-yl-(2-bromophenyl)methanone
SMILESO=C(c1nc2ccccc2[nH]1)c1ccccc1Br
InChIInChI=1S/C14H9BrN2O/c15-10-6-2-1-5-9(10)13(18)14-16-11-7-3-4-8-12(11)17-14/h1-8H,(H,16,17)
InChIKeySKFWXLGVLWDCEL-UHFFFAOYSA-N
MW301.14 g/mol
LogP3.56
Rot. Bonds2

About 1H-benzimidazol-2-yl-(2-bromophenyl)methanone

1H-benzimidazol-2-yl-(2-bromophenyl)methanone (PubChem CID 13260204) has the molecular formula C14H9BrN2O and a molecular weight of 301.14 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-(2-bromophenyl)methanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-(2-bromophenyl)methanone
PubChem CID13260204
Molecular FormulaC14H9BrN2O
Molecular Weight301.14 g/mol
Exact Mass299.99
IUPAC Name1H-benzimidazol-2-yl-(2-bromophenyl)methanone
SMILESO=C(c1nc2ccccc2[nH]1)c1ccccc1Br
InChIInChI=1S/C14H9BrN2O/c15-10-6-2-1-5-9(10)13(18)14-16-11-7-3-4-8-12(11)17-14/h1-8H,(H,16,17)
InChIKeySKFWXLGVLWDCEL-UHFFFAOYSA-N
XLogP3.56
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl-(2-bromophenyl)methanone?
The IUPAC name of 1H-benzimidazol-2-yl-(2-bromophenyl)methanone (CID 13260204) is 1H-benzimidazol-2-yl-(2-bromophenyl)methanone.
What is the SMILES notation for 1H-benzimidazol-2-yl-(2-bromophenyl)methanone?
The canonical SMILES for 1H-benzimidazol-2-yl-(2-bromophenyl)methanone is O=C(c1nc2ccccc2[nH]1)c1ccccc1Br.
What is the InChIKey of 1H-benzimidazol-2-yl-(2-bromophenyl)methanone?
The InChIKey is SKFWXLGVLWDCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2O/c15-10-6-2-1-5-9(10)13(18)14-16-11-7-3-4-8-12(11)17-14/h1-8H,(H,16,17).
What are the key properties of 1H-benzimidazol-2-yl-(2-bromophenyl)methanone?
1H-benzimidazol-2-yl-(2-bromophenyl)methanone has a molecular weight of 301.14 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-yl-(2-bromophenyl)methanone is sourced from PubChem (CID 13260204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).