2-(benzimidazol-1-yl)-N-[(2-bromophenyl)methyl]-N-methylpropanamide

C18H18BrN3O — CID 46429703

IUPAC2-(benzimidazol-1-yl)-N-[(2-bromophenyl)methyl]-N-methylpropanamide
SMILESCC(C(=O)N(C)Cc1ccccc1Br)n1cnc2ccccc21
InChIInChI=1S/C18H18BrN3O/c1-13(22-12-20-16-9-5-6-10-17(16)22)18(23)21(2)11-14-7-3-4-8-15(14)19/h3-10,12-13H,11H2,1-2H3
InChIKeyLUOQUMIHMXPPEW-UHFFFAOYSA-N
MW372.27 g/mol
LogP4.02
Rot. Bonds4

About 2-(benzimidazol-1-yl)-N-[(2-bromophenyl)methyl]-N-methylpropanamide

2-(benzimidazol-1-yl)-N-[(2-bromophenyl)methyl]-N-methylpropanamide (PubChem CID 46429703) has the molecular formula C18H18BrN3O and a molecular weight of 372.27 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-[(2-bromophenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-[(2-bromophenyl)methyl]-N-methylpropanamide
PubChem CID46429703
Molecular FormulaC18H18BrN3O
Molecular Weight372.27 g/mol
Exact Mass371.06
IUPAC Name2-(benzimidazol-1-yl)-N-[(2-bromophenyl)methyl]-N-methylpropanamide
SMILESCC(C(=O)N(C)Cc1ccccc1Br)n1cnc2ccccc21
InChIInChI=1S/C18H18BrN3O/c1-13(22-12-20-16-9-5-6-10-17(16)22)18(23)21(2)11-14-7-3-4-8-15(14)19/h3-10,12-13H,11H2,1-2H3
InChIKeyLUOQUMIHMXPPEW-UHFFFAOYSA-N
XLogP4.02
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.27
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(benzimidazol-1-yl)-N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]propanamide
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2-(benzimidazol-1-yl)-N-(2-pyridin-4-ylethyl)propanamide
CID 75679386
(2S)-2-(benzimidazol-1-yl)-N-cyclopropyl-N-(furan-2-ylmethyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-[(2-bromophenyl)methyl]-N-methylpropanamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-[(2-bromophenyl)methyl]-N-methylpropanamide (CID 46429703) is 2-(benzimidazol-1-yl)-N-[(2-bromophenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-[(2-bromophenyl)methyl]-N-methylpropanamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-[(2-bromophenyl)methyl]-N-methylpropanamide is CC(C(=O)N(C)Cc1ccccc1Br)n1cnc2ccccc21.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-[(2-bromophenyl)methyl]-N-methylpropanamide?
The InChIKey is LUOQUMIHMXPPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O/c1-13(22-12-20-16-9-5-6-10-17(16)22)18(23)21(2)11-14-7-3-4-8-15(14)19/h3-10,12-13H,11H2,1-2H3.
What are the key properties of 2-(benzimidazol-1-yl)-N-[(2-bromophenyl)methyl]-N-methylpropanamide?
2-(benzimidazol-1-yl)-N-[(2-bromophenyl)methyl]-N-methylpropanamide has a molecular weight of 372.27 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-[(2-bromophenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 46429703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).