N-(1H-benzimidazol-2-ylmethyl)-2-bromo-3-methylbenzamide

C16H14BrN3O — CID 103854329

IUPACN-(1H-benzimidazol-2-ylmethyl)-2-bromo-3-methylbenzamide
SMILESCc1cccc(C(=O)NCc2nc3ccccc3[nH]2)c1Br
InChIInChI=1S/C16H14BrN3O/c1-10-5-4-6-11(15(10)17)16(21)18-9-14-19-12-7-2-3-8-13(12)20-14/h2-8H,9H2,1H3,(H,18,21)(H,19,20)
InChIKeyNPBWEKLAVLAGBL-UHFFFAOYSA-N
MW344.21 g/mol
LogP3.56
Rot. Bonds3

About N-(1H-benzimidazol-2-ylmethyl)-2-bromo-3-methylbenzamide

N-(1H-benzimidazol-2-ylmethyl)-2-bromo-3-methylbenzamide (PubChem CID 103854329) has the molecular formula C16H14BrN3O and a molecular weight of 344.21 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-2-bromo-3-methylbenzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-2-bromo-3-methylbenzamide
PubChem CID103854329
Molecular FormulaC16H14BrN3O
Molecular Weight344.21 g/mol
Exact Mass343.03
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-2-bromo-3-methylbenzamide
SMILESCc1cccc(C(=O)NCc2nc3ccccc3[nH]2)c1Br
InChIInChI=1S/C16H14BrN3O/c1-10-5-4-6-11(15(10)17)16(21)18-9-14-19-12-7-2-3-8-13(12)20-14/h2-8H,9H2,1H3,(H,18,21)(H,19,20)
InChIKeyNPBWEKLAVLAGBL-UHFFFAOYSA-N
XLogP3.56
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-bromo-3-methylbenzamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-bromo-3-methylbenzamide (CID 103854329) is N-(1H-benzimidazol-2-ylmethyl)-2-bromo-3-methylbenzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-2-bromo-3-methylbenzamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-2-bromo-3-methylbenzamide is Cc1cccc(C(=O)NCc2nc3ccccc3[nH]2)c1Br.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-2-bromo-3-methylbenzamide?
The InChIKey is NPBWEKLAVLAGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O/c1-10-5-4-6-11(15(10)17)16(21)18-9-14-19-12-7-2-3-8-13(12)20-14/h2-8H,9H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-2-bromo-3-methylbenzamide?
N-(1H-benzimidazol-2-ylmethyl)-2-bromo-3-methylbenzamide has a molecular weight of 344.21 g/mol, XLogP of 3.56, 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)-2-bromo-3-methylbenzamide is sourced from PubChem (CID 103854329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).