2-[6-bromo-2-(chloromethyl)benzimidazol-1-yl]-N-methylpropanamide

C12H13BrClN3O — CID 65346044

IUPAC2-[6-bromo-2-(chloromethyl)benzimidazol-1-yl]-N-methylpropanamide
SMILESCNC(=O)C(C)n1c(CCl)nc2ccc(Br)cc21
InChIInChI=1S/C12H13BrClN3O/c1-7(12(18)15-2)17-10-5-8(13)3-4-9(10)16-11(17)6-14/h3-5,7H,6H2,1-2H3,(H,15,18)
InChIKeySKVHTDAEKCSYJP-UHFFFAOYSA-N
MW330.61 g/mol
LogP2.84
Rot. Bonds3

About 2-[6-bromo-2-(chloromethyl)benzimidazol-1-yl]-N-methylpropanamide

2-[6-bromo-2-(chloromethyl)benzimidazol-1-yl]-N-methylpropanamide (PubChem CID 65346044) has the molecular formula C12H13BrClN3O and a molecular weight of 330.61 g/mol. Its IUPAC name is 2-[6-bromo-2-(chloromethyl)benzimidazol-1-yl]-N-methylpropanamide.

Molecular Properties

Compound Name2-[6-bromo-2-(chloromethyl)benzimidazol-1-yl]-N-methylpropanamide
PubChem CID65346044
Molecular FormulaC12H13BrClN3O
Molecular Weight330.61 g/mol
Exact Mass328.99
IUPAC Name2-[6-bromo-2-(chloromethyl)benzimidazol-1-yl]-N-methylpropanamide
SMILESCNC(=O)C(C)n1c(CCl)nc2ccc(Br)cc21
InChIInChI=1S/C12H13BrClN3O/c1-7(12(18)15-2)17-10-5-8(13)3-4-9(10)16-11(17)6-14/h3-5,7H,6H2,1-2H3,(H,15,18)
InChIKeySKVHTDAEKCSYJP-UHFFFAOYSA-N
XLogP2.84
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.61
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[2-(chloromethyl)-6-fluorobenzimidazol-1-yl]-N-methylpropanamide
CID 62376352
2-[6-bromo-2-(chloromethyl)benzimidazol-1-yl]-N-methylacetamide
CID 65345086
6-bromo-2-(chloromethyl)-1-(5-methylhexan-2-yl)benzimidazole
CID 65346159
3-[1-(methylamino)-1-oxopropan-2-yl]-2-propylbenzimidazole-5-carboxylic acid
CID 82769223
3-[6-bromo-2-(chloromethyl)benzimidazol-1-yl]-N,N-dimethylbutan-1-amine
CID 65346458
2-(2-amino-6-bromobenzimidazol-1-yl)-N-propylpropanamide
CID 65344760
6-bromo-2-(chloromethyl)-1-(2-methylpropyl)benzimidazole
CID 65345262
6-bromo-2-(chloromethyl)-1-(dicyclopropylmethyl)benzimidazole
CID 65346411
6-bromo-2-(chloromethyl)-1-(1-piperidin-1-ylpropan-2-yl)benzimidazole
CID 65346599
2-[5-bromo-2-(chloromethyl)benzimidazol-1-yl]-N-methylacetamide
CID 43661028
2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-methylpropanamide
CID 63636686
1-[1-(4-bromophenyl)ethyl]-2-(chloromethyl)-6-fluorobenzimidazole
CID 63546319

Frequently Asked Questions

What is the IUPAC name of 2-[6-bromo-2-(chloromethyl)benzimidazol-1-yl]-N-methylpropanamide?
The IUPAC name of 2-[6-bromo-2-(chloromethyl)benzimidazol-1-yl]-N-methylpropanamide (CID 65346044) is 2-[6-bromo-2-(chloromethyl)benzimidazol-1-yl]-N-methylpropanamide.
What is the SMILES notation for 2-[6-bromo-2-(chloromethyl)benzimidazol-1-yl]-N-methylpropanamide?
The canonical SMILES for 2-[6-bromo-2-(chloromethyl)benzimidazol-1-yl]-N-methylpropanamide is CNC(=O)C(C)n1c(CCl)nc2ccc(Br)cc21.
What is the InChIKey of 2-[6-bromo-2-(chloromethyl)benzimidazol-1-yl]-N-methylpropanamide?
The InChIKey is SKVHTDAEKCSYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClN3O/c1-7(12(18)15-2)17-10-5-8(13)3-4-9(10)16-11(17)6-14/h3-5,7H,6H2,1-2H3,(H,15,18).
What are the key properties of 2-[6-bromo-2-(chloromethyl)benzimidazol-1-yl]-N-methylpropanamide?
2-[6-bromo-2-(chloromethyl)benzimidazol-1-yl]-N-methylpropanamide has a molecular weight of 330.61 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-bromo-2-(chloromethyl)benzimidazol-1-yl]-N-methylpropanamide is sourced from PubChem (CID 65346044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).