N-(1H-benzimidazol-2-ylmethyl)-5-bromo-2-methoxybenzamide

C16H14BrN3O2 — CID 146022195

IUPACN-(1H-benzimidazol-2-ylmethyl)-5-bromo-2-methoxybenzamide
SMILESCOc1ccc(Br)cc1C(=O)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C16H14BrN3O2/c1-22-14-7-6-10(17)8-11(14)16(21)18-9-15-19-12-4-2-3-5-13(12)20-15/h2-8H,9H2,1H3,(H,18,21)(H,19,20)
InChIKeyIWGWNWTUZPWIMO-UHFFFAOYSA-N
MW360.21 g/mol
LogP3.26
Rot. Bonds4

About N-(1H-benzimidazol-2-ylmethyl)-5-bromo-2-methoxybenzamide

N-(1H-benzimidazol-2-ylmethyl)-5-bromo-2-methoxybenzamide (PubChem CID 146022195) has the molecular formula C16H14BrN3O2 and a molecular weight of 360.21 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-5-bromo-2-methoxybenzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-5-bromo-2-methoxybenzamide
PubChem CID146022195
Molecular FormulaC16H14BrN3O2
Molecular Weight360.21 g/mol
Exact Mass359.03
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-5-bromo-2-methoxybenzamide
SMILESCOc1ccc(Br)cc1C(=O)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C16H14BrN3O2/c1-22-14-7-6-10(17)8-11(14)16(21)18-9-15-19-12-4-2-3-5-13(12)20-15/h2-8H,9H2,1H3,(H,18,21)(H,19,20)
InChIKeyIWGWNWTUZPWIMO-UHFFFAOYSA-N
XLogP3.26
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.21
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-2-methoxy-5-sulfamoylbenzamide
CID 77090238
N-(1H-benzimidazol-2-ylmethyl)-3,5-dimethoxy-4-methylbenzamide
CID 51143940
N-(1H-benzimidazol-2-ylmethyl)-3,5-dibromobenzamide
CID 103908650
N-(1H-benzimidazol-2-ylmethyl)-2-chloro-4-methylbenzamide
CID 106509697
N-(1H-benzimidazol-2-ylmethyl)-3-methoxy-4-propan-2-yloxybenzamide
CID 51143987
N-(1H-benzimidazol-2-ylmethyl)-5-bromo-2-(2H-tetrazol-1-ium-1-yl)benzamide
CID 75465929
N-(1H-benzimidazol-2-ylmethyl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
CID 125432858
N-(1H-benzimidazol-2-ylmethyl)-2-fluorobenzamide
CID 947655
N-(1H-benzimidazol-2-ylmethyl)-2-bromo-3-methylbenzamide
CID 103854329
N-(1H-benzimidazol-2-ylmethyl)-4-(difluoromethoxy)-3-methoxybenzamide
CID 51143916
N-(1H-benzimidazol-2-ylmethyl)-3-(2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 121083943
N-[2-(1H-benzimidazol-2-yl)ethyl]-5-bromo-2-iodobenzamide
CID 34258206

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-5-bromo-2-methoxybenzamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-5-bromo-2-methoxybenzamide (CID 146022195) is N-(1H-benzimidazol-2-ylmethyl)-5-bromo-2-methoxybenzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-5-bromo-2-methoxybenzamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-5-bromo-2-methoxybenzamide is COc1ccc(Br)cc1C(=O)NCc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-5-bromo-2-methoxybenzamide?
The InChIKey is IWGWNWTUZPWIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O2/c1-22-14-7-6-10(17)8-11(14)16(21)18-9-15-19-12-4-2-3-5-13(12)20-15/h2-8H,9H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-5-bromo-2-methoxybenzamide?
N-(1H-benzimidazol-2-ylmethyl)-5-bromo-2-methoxybenzamide has a molecular weight of 360.21 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-5-bromo-2-methoxybenzamide is sourced from PubChem (CID 146022195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).