N-(1H-benzimidazol-2-ylmethyl)-3,5-dibromobenzamide

C15H11Br2N3O — CID 103908650

IUPACN-(1H-benzimidazol-2-ylmethyl)-3,5-dibromobenzamide
SMILESO=C(NCc1nc2ccccc2[nH]1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C15H11Br2N3O/c16-10-5-9(6-11(17)7-10)15(21)18-8-14-19-12-3-1-2-4-13(12)20-14/h1-7H,8H2,(H,18,21)(H,19,20)
InChIKeyTYGXTSVNZGQZLH-UHFFFAOYSA-N
MW409.08 g/mol
LogP4.02
Rot. Bonds3

About N-(1H-benzimidazol-2-ylmethyl)-3,5-dibromobenzamide

N-(1H-benzimidazol-2-ylmethyl)-3,5-dibromobenzamide (PubChem CID 103908650) has the molecular formula C15H11Br2N3O and a molecular weight of 409.08 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-3,5-dibromobenzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-3,5-dibromobenzamide
PubChem CID103908650
Molecular FormulaC15H11Br2N3O
Molecular Weight409.08 g/mol
Exact Mass406.93
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-3,5-dibromobenzamide
SMILESO=C(NCc1nc2ccccc2[nH]1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C15H11Br2N3O/c16-10-5-9(6-11(17)7-10)15(21)18-8-14-19-12-3-1-2-4-13(12)20-14/h1-7H,8H2,(H,18,21)(H,19,20)
InChIKeyTYGXTSVNZGQZLH-UHFFFAOYSA-N
XLogP4.02
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.08
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-3,5-dimethoxy-4-methylbenzamide
CID 51143940
N-(1H-benzimidazol-2-ylmethyl)-2,3-diethylquinoxaline-6-carboxamide
CID 21008774
N-(1H-benzimidazol-2-ylmethyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 21008804
N-(1H-benzimidazol-2-ylmethyl)-3-fluoro-4-methylbenzamide
CID 18105208
N-(1H-benzimidazol-2-ylmethyl)-5-bromo-2-methoxybenzamide
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N-(1H-benzimidazol-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 18105110
N-(1H-benzimidazol-2-ylmethyl)-2-bromo-3-methylbenzamide
CID 103854329
N-(1H-benzimidazol-2-ylmethyl)-2-fluorobenzamide
CID 947655
N-(1H-benzimidazol-2-ylmethyl)thiophene-2-carboxamide
CID 751095
N-(1H-benzimidazol-2-ylmethyl)-5-ethylthiophene-2-carboxamide
CID 51205056
N-(1H-benzimidazol-2-ylmethyl)-2-chloro-4-methylbenzamide
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N-(1H-benzimidazol-2-ylmethyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 51191763

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-3,5-dibromobenzamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-3,5-dibromobenzamide (CID 103908650) is N-(1H-benzimidazol-2-ylmethyl)-3,5-dibromobenzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-3,5-dibromobenzamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-3,5-dibromobenzamide is O=C(NCc1nc2ccccc2[nH]1)c1cc(Br)cc(Br)c1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-3,5-dibromobenzamide?
The InChIKey is TYGXTSVNZGQZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2N3O/c16-10-5-9(6-11(17)7-10)15(21)18-8-14-19-12-3-1-2-4-13(12)20-14/h1-7H,8H2,(H,18,21)(H,19,20).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-3,5-dibromobenzamide?
N-(1H-benzimidazol-2-ylmethyl)-3,5-dibromobenzamide has a molecular weight of 409.08 g/mol, XLogP of 4.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-3,5-dibromobenzamide is sourced from PubChem (CID 103908650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).