2-(benzimidazol-1-yl)-N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]propanamide

C20H22BrN3O3 — CID 46604692

IUPAC2-(benzimidazol-1-yl)-N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]propanamide
SMILESCOc1cc(Br)c(CCNC(=O)C(C)n2cnc3ccccc32)cc1OC
InChIInChI=1S/C20H22BrN3O3/c1-13(24-12-23-16-6-4-5-7-17(16)24)20(25)22-9-8-14-10-18(26-2)19(27-3)11-15(14)21/h4-7,10-13H,8-9H2,1-3H3,(H,22,25)
InChIKeyZSUCEWHQAOQMJH-UHFFFAOYSA-N
MW432.32 g/mol
LogP3.74
Rot. Bonds7

About 2-(benzimidazol-1-yl)-N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]propanamide

2-(benzimidazol-1-yl)-N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]propanamide (PubChem CID 46604692) has the molecular formula C20H22BrN3O3 and a molecular weight of 432.32 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]propanamide
PubChem CID46604692
Molecular FormulaC20H22BrN3O3
Molecular Weight432.32 g/mol
Exact Mass431.08
IUPAC Name2-(benzimidazol-1-yl)-N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]propanamide
SMILESCOc1cc(Br)c(CCNC(=O)C(C)n2cnc3ccccc32)cc1OC
InChIInChI=1S/C20H22BrN3O3/c1-13(24-12-23-16-6-4-5-7-17(16)24)20(25)22-9-8-14-10-18(26-2)19(27-3)11-15(14)21/h4-7,10-13H,8-9H2,1-3H3,(H,22,25)
InChIKeyZSUCEWHQAOQMJH-UHFFFAOYSA-N
XLogP3.74
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.32
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzimidazol-1-yl)-N-(2-pyridin-4-ylethyl)propanamide
CID 75679386
2-(benzimidazol-1-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 46604605
2-(benzimidazol-1-yl)-N-(3-hydroxy-4-methoxybutyl)propanamide
CID 103876740
methyl 6-[2-(benzimidazol-1-yl)propanoylamino]hexanoate
CID 46429398
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(benzimidazol-1-yl)propanamide
CID 56750658
N-[2-[2-(benzimidazol-1-yl)propanoylamino]ethyl]benzamide
CID 42959454
N'-[2-(benzimidazol-1-yl)propanoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 46429428
(2S)-2-(benzimidazol-1-yl)-N-[4-(4-chlorophenoxy)butyl]propanamide
CID 51729342
methyl 3-(benzimidazol-1-yl)butanoate
CID 43536389
2-(benzimidazol-1-yl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]propanamide
CID 46605183
N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-indol-1-ylpropanamide
CID 18119415
2-(benzimidazol-1-yl)-N-(2-hydroxypentyl)propanamide
CID 115700986

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]propanamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]propanamide (CID 46604692) is 2-(benzimidazol-1-yl)-N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]propanamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]propanamide is COc1cc(Br)c(CCNC(=O)C(C)n2cnc3ccccc32)cc1OC.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]propanamide?
The InChIKey is ZSUCEWHQAOQMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrN3O3/c1-13(24-12-23-16-6-4-5-7-17(16)24)20(25)22-9-8-14-10-18(26-2)19(27-3)11-15(14)21/h4-7,10-13H,8-9H2,1-3H3,(H,22,25).
What are the key properties of 2-(benzimidazol-1-yl)-N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]propanamide?
2-(benzimidazol-1-yl)-N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]propanamide has a molecular weight of 432.32 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 46604692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).