2-(benzimidazol-1-yl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]propanamide

C19H19BrN4O2 — CID 46605183

IUPAC2-(benzimidazol-1-yl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]propanamide
SMILESCc1cc(Br)ccc1NC(=O)CNC(=O)C(C)n1cnc2ccccc21
InChIInChI=1S/C19H19BrN4O2/c1-12-9-14(20)7-8-15(12)23-18(25)10-21-19(26)13(2)24-11-22-16-5-3-4-6-17(16)24/h3-9,11,13H,10H2,1-2H3,(H,21,26)(H,23,25)
InChIKeyASSNLPGLZOHTJO-UHFFFAOYSA-N
MW415.29 g/mol
LogP3.42
Rot. Bonds5

About 2-(benzimidazol-1-yl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]propanamide

2-(benzimidazol-1-yl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]propanamide (PubChem CID 46605183) has the molecular formula C19H19BrN4O2 and a molecular weight of 415.29 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]propanamide
PubChem CID46605183
Molecular FormulaC19H19BrN4O2
Molecular Weight415.29 g/mol
Exact Mass414.07
IUPAC Name2-(benzimidazol-1-yl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]propanamide
SMILESCc1cc(Br)ccc1NC(=O)CNC(=O)C(C)n1cnc2ccccc21
InChIInChI=1S/C19H19BrN4O2/c1-12-9-14(20)7-8-15(12)23-18(25)10-21-19(26)13(2)24-11-22-16-5-3-4-6-17(16)24/h3-9,11,13H,10H2,1-2H3,(H,21,26)(H,23,25)
InChIKeyASSNLPGLZOHTJO-UHFFFAOYSA-N
XLogP3.42
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.29
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(benzimidazol-1-yl)-N-prop-2-enylpropanamide
CID 39041110
(2R)-2-acetamido-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-methylbutanamide
CID 26008291
2-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-methoxypropanamide
CID 120983378
N-(4-bromo-2-methylphenyl)-2-(1-pyridin-2-ylethylcarbamoylamino)acetamide
CID 42954179
N-[2-[2-(benzimidazol-1-yl)propanoylamino]ethyl]benzamide
CID 42959454
(2R)-2-(benzimidazol-1-yl)-N-[(5-methylpyrazin-2-yl)methyl]propanamide
CID 95148434
2-(benzimidazol-1-yl)-N-(2-pyridin-4-ylethyl)propanamide
CID 75679386
2-(benzimidazol-1-yl)-N-(2-hydroxypentyl)propanamide
CID 115700986
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 27781334
3-amino-N-(4-bromo-2-methylphenyl)butanamide;hydrochloride
CID 119682559
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-(5,6-difluorobenzimidazol-1-yl)-N,3-dimethylbutanamide
CID 47086764
N-[1-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 17490654

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]propanamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]propanamide (CID 46605183) is 2-(benzimidazol-1-yl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]propanamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]propanamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]propanamide is Cc1cc(Br)ccc1NC(=O)CNC(=O)C(C)n1cnc2ccccc21.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]propanamide?
The InChIKey is ASSNLPGLZOHTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4O2/c1-12-9-14(20)7-8-15(12)23-18(25)10-21-19(26)13(2)24-11-22-16-5-3-4-6-17(16)24/h3-9,11,13H,10H2,1-2H3,(H,21,26)(H,23,25).
What are the key properties of 2-(benzimidazol-1-yl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]propanamide?
2-(benzimidazol-1-yl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]propanamide has a molecular weight of 415.29 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]propanamide is sourced from PubChem (CID 46605183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).