N-(1H-benzimidazol-2-yl)-3-bromobenzamide

C14H10BrN3O — CID 2083985

IUPACN-(1H-benzimidazol-2-yl)-3-bromobenzamide
SMILESO=C(Nc1nc2ccccc2[nH]1)c1cccc(Br)c1
InChIInChI=1S/C14H10BrN3O/c15-10-5-3-4-9(8-10)13(19)18-14-16-11-6-1-2-7-12(11)17-14/h1-8H,(H2,16,17,18,19)
InChIKeyCUKUPQOPJXULNH-UHFFFAOYSA-N
MW316.16 g/mol
LogP3.58
Rot. Bonds2

About N-(1H-benzimidazol-2-yl)-3-bromobenzamide

N-(1H-benzimidazol-2-yl)-3-bromobenzamide (PubChem CID 2083985) has the molecular formula C14H10BrN3O and a molecular weight of 316.16 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-3-bromobenzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-3-bromobenzamide
PubChem CID2083985
Molecular FormulaC14H10BrN3O
Molecular Weight316.16 g/mol
Exact Mass315.00
IUPAC NameN-(1H-benzimidazol-2-yl)-3-bromobenzamide
SMILESO=C(Nc1nc2ccccc2[nH]1)c1cccc(Br)c1
InChIInChI=1S/C14H10BrN3O/c15-10-5-3-4-9(8-10)13(19)18-14-16-11-6-1-2-7-12(11)17-14/h1-8H,(H2,16,17,18,19)
InChIKeyCUKUPQOPJXULNH-UHFFFAOYSA-N
XLogP3.58
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.16
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-3-bromobenzamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-3-bromobenzamide (CID 2083985) is N-(1H-benzimidazol-2-yl)-3-bromobenzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-3-bromobenzamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-3-bromobenzamide is O=C(Nc1nc2ccccc2[nH]1)c1cccc(Br)c1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-3-bromobenzamide?
The InChIKey is CUKUPQOPJXULNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O/c15-10-5-3-4-9(8-10)13(19)18-14-16-11-6-1-2-7-12(11)17-14/h1-8H,(H2,16,17,18,19).
What are the key properties of N-(1H-benzimidazol-2-yl)-3-bromobenzamide?
N-(1H-benzimidazol-2-yl)-3-bromobenzamide has a molecular weight of 316.16 g/mol, XLogP of 3.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-3-bromobenzamide is sourced from PubChem (CID 2083985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).