N-(6-bromo-1,3-diethyl-2-oxobenzimidazol-5-yl)-2-phenylpropanamide

C20H22BrN3O2 — CID 2972939

IUPACN-(6-bromo-1,3-diethyl-2-oxobenzimidazol-5-yl)-2-phenylpropanamide
SMILESCCn1c(=O)n(CC)c2cc(NC(=O)C(C)c3ccccc3)c(Br)cc21
InChIInChI=1S/C20H22BrN3O2/c1-4-23-17-11-15(21)16(12-18(17)24(5-2)20(23)26)22-19(25)13(3)14-9-7-6-8-10-14/h6-13H,4-5H2,1-3H3,(H,22,25)
InChIKeyBJQYDOFYUOVBNL-UHFFFAOYSA-N
MW416.32 g/mol
LogP4.35
Rot. Bonds5

About N-(6-bromo-1,3-diethyl-2-oxobenzimidazol-5-yl)-2-phenylpropanamide

N-(6-bromo-1,3-diethyl-2-oxobenzimidazol-5-yl)-2-phenylpropanamide (PubChem CID 2972939) has the molecular formula C20H22BrN3O2 and a molecular weight of 416.32 g/mol. Its IUPAC name is N-(6-bromo-1,3-diethyl-2-oxobenzimidazol-5-yl)-2-phenylpropanamide.

Molecular Properties

Compound NameN-(6-bromo-1,3-diethyl-2-oxobenzimidazol-5-yl)-2-phenylpropanamide
PubChem CID2972939
Molecular FormulaC20H22BrN3O2
Molecular Weight416.32 g/mol
Exact Mass415.09
IUPAC NameN-(6-bromo-1,3-diethyl-2-oxobenzimidazol-5-yl)-2-phenylpropanamide
SMILESCCn1c(=O)n(CC)c2cc(NC(=O)C(C)c3ccccc3)c(Br)cc21
InChIInChI=1S/C20H22BrN3O2/c1-4-23-17-11-15(21)16(12-18(17)24(5-2)20(23)26)22-19(25)13(3)14-9-7-6-8-10-14/h6-13H,4-5H2,1-3H3,(H,22,25)
InChIKeyBJQYDOFYUOVBNL-UHFFFAOYSA-N
XLogP4.35
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.32
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,2R)-N-((S)-1-(4-(5-Bromo-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)propan-2-yl)-2-phenylcyclopropanecarboxamide
CID 44573131
cis-(1R,2S)-N-[(2S)-1-[4-(5-bromo-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]-2-phenylcyclopropane-1-carboxamide
CID 74763829
N-(6-bromo-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-4-fluorobenzamide
CID 1250694
N-(6-bromo-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-3-nitrobenzamide
CID 1250795
N-(6-bromo-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-3-phenylpropanamide
CID 2978356
N-(1,3-dimethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2-phenylacetamide
CID 20946734
N-[1,3-Dimethyl-2-oxo-6-(piperidin-1-YL)-2,3-dihydro-1H-1,3-benzodiazol-5-YL]-2-phenylacetamide
CID 22433053
trans-(1S,2S)-N-[(2S)-1-[4-(5-bromo-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]-2-phenylcyclopropane-1-carboxamide
CID 44591929
2-Bromo-N-[1,3-diethyl-2-oxo-6-(pyrrolidin-1-YL)-2,3-dihydro-1H-1,3-benzodiazol-5-YL]benzamide
CID 24789793
US10208071, Table 3.6
CID 16547700
3-(2,6-difluorophenyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)butanamide
CID 155533645
3-(2-bromophenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]butanamide
CID 155561567

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-1,3-diethyl-2-oxobenzimidazol-5-yl)-2-phenylpropanamide?
The IUPAC name of N-(6-bromo-1,3-diethyl-2-oxobenzimidazol-5-yl)-2-phenylpropanamide (CID 2972939) is N-(6-bromo-1,3-diethyl-2-oxobenzimidazol-5-yl)-2-phenylpropanamide.
What is the SMILES notation for N-(6-bromo-1,3-diethyl-2-oxobenzimidazol-5-yl)-2-phenylpropanamide?
The canonical SMILES for N-(6-bromo-1,3-diethyl-2-oxobenzimidazol-5-yl)-2-phenylpropanamide is CCn1c(=O)n(CC)c2cc(NC(=O)C(C)c3ccccc3)c(Br)cc21.
What is the InChIKey of N-(6-bromo-1,3-diethyl-2-oxobenzimidazol-5-yl)-2-phenylpropanamide?
The InChIKey is BJQYDOFYUOVBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrN3O2/c1-4-23-17-11-15(21)16(12-18(17)24(5-2)20(23)26)22-19(25)13(3)14-9-7-6-8-10-14/h6-13H,4-5H2,1-3H3,(H,22,25).
What are the key properties of N-(6-bromo-1,3-diethyl-2-oxobenzimidazol-5-yl)-2-phenylpropanamide?
N-(6-bromo-1,3-diethyl-2-oxobenzimidazol-5-yl)-2-phenylpropanamide has a molecular weight of 416.32 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-1,3-diethyl-2-oxobenzimidazol-5-yl)-2-phenylpropanamide is sourced from PubChem (CID 2972939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).