2-bromo-2-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]propanamide

C13H16BrN3O2 — CID 114327723

IUPAC2-bromo-2-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]propanamide
SMILESCC(NC(=O)C(C)(C)Br)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C13H16BrN3O2/c1-7(15-11(18)13(2,3)14)8-4-5-9-10(6-8)17-12(19)16-9/h4-7H,1-3H3,(H,15,18)(H2,16,17,19)
InChIKeyITRXIPKMAYAOMN-UHFFFAOYSA-N
MW326.19 g/mol
LogP2.21
Rot. Bonds3

About 2-bromo-2-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]propanamide

2-bromo-2-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]propanamide (PubChem CID 114327723) has the molecular formula C13H16BrN3O2 and a molecular weight of 326.19 g/mol. Its IUPAC name is 2-bromo-2-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-bromo-2-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]propanamide
PubChem CID114327723
Molecular FormulaC13H16BrN3O2
Molecular Weight326.19 g/mol
Exact Mass325.04
IUPAC Name2-bromo-2-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]propanamide
SMILESCC(NC(=O)C(C)(C)Br)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C13H16BrN3O2/c1-7(15-11(18)13(2,3)14)8-4-5-9-10(6-8)17-12(19)16-9/h4-7H,1-3H3,(H,15,18)(H2,16,17,19)
InChIKeyITRXIPKMAYAOMN-UHFFFAOYSA-N
XLogP2.21
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(2R)-1-oxo-1-[[(1S)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]amino]propan-2-yl]carbamate
CID 94509187
1-amino-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]cyclopentane-1-carboxamide
CID 60867027
5-[1-(propan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43200626
(2Z,4E)-N-[(1S)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]hexa-2,4-dienamide
CID 94195434
(2R)-2-amino-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]pentanamide
CID 103794953
2-(azetidin-3-yl)-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]propanamide
CID 116675039
5-chloro-2-iodo-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide
CID 55972322
2-oxo-N-[(1S)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1H-pyridine-3-carboxamide
CID 94147869
1-cyclohexyl-3-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea
CID 94799266
3-methyl-2-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethylamino]butanamide
CID 106344304
5-(1-bromo-2-oxopropyl)-1,3-dihydrobenzimidazol-2-one
CID 116859823
N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 63047659

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]propanamide?
The IUPAC name of 2-bromo-2-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]propanamide (CID 114327723) is 2-bromo-2-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 2-bromo-2-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]propanamide?
The canonical SMILES for 2-bromo-2-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]propanamide is CC(NC(=O)C(C)(C)Br)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 2-bromo-2-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]propanamide?
The InChIKey is ITRXIPKMAYAOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O2/c1-7(15-11(18)13(2,3)14)8-4-5-9-10(6-8)17-12(19)16-9/h4-7H,1-3H3,(H,15,18)(H2,16,17,19).
What are the key properties of 2-bromo-2-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]propanamide?
2-bromo-2-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]propanamide has a molecular weight of 326.19 g/mol, XLogP of 2.21, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 114327723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).