2-[2-(2,1,3-benzoxadiazol-5-yl)-3H-benzimidazol-5-yl]-1-[4-(dimethylamino)phenyl]ethanone

C23H19N5O2 — CID 149485443

IUPAC2-[2-(2,1,3-benzoxadiazol-5-yl)-3H-benzimidazol-5-yl]-1-[4-(dimethylamino)phenyl]ethanone
SMILESCN(C)c1ccc(C(=O)Cc2ccc3nc(-c4ccc5nonc5c4)[nH]c3c2)cc1
InChIInChI=1S/C23H19N5O2/c1-28(2)17-7-4-15(5-8-17)22(29)12-14-3-9-18-20(11-14)25-23(24-18)16-6-10-19-21(13-16)27-30-26-19/h3-11,13H,12H2,1-2H3,(H,24,25)
InChIKeyZEBQUNJODMDOGN-UHFFFAOYSA-N
MW397.44 g/mol
LogP4.26
Rot. Bonds5

About 2-[2-(2,1,3-benzoxadiazol-5-yl)-3H-benzimidazol-5-yl]-1-[4-(dimethylamino)phenyl]ethanone

2-[2-(2,1,3-benzoxadiazol-5-yl)-3H-benzimidazol-5-yl]-1-[4-(dimethylamino)phenyl]ethanone (PubChem CID 149485443) has the molecular formula C23H19N5O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is 2-[2-(2,1,3-benzoxadiazol-5-yl)-3H-benzimidazol-5-yl]-1-[4-(dimethylamino)phenyl]ethanone.

Molecular Properties

Compound Name2-[2-(2,1,3-benzoxadiazol-5-yl)-3H-benzimidazol-5-yl]-1-[4-(dimethylamino)phenyl]ethanone
PubChem CID149485443
Molecular FormulaC23H19N5O2
Molecular Weight397.44 g/mol
Exact Mass397.15
IUPAC Name2-[2-(2,1,3-benzoxadiazol-5-yl)-3H-benzimidazol-5-yl]-1-[4-(dimethylamino)phenyl]ethanone
SMILESCN(C)c1ccc(C(=O)Cc2ccc3nc(-c4ccc5nonc5c4)[nH]c3c2)cc1
InChIInChI=1S/C23H19N5O2/c1-28(2)17-7-4-15(5-8-17)22(29)12-14-3-9-18-20(11-14)25-23(24-18)16-6-10-19-21(13-16)27-30-26-19/h3-11,13H,12H2,1-2H3,(H,24,25)
InChIKeyZEBQUNJODMDOGN-UHFFFAOYSA-N
XLogP4.26
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-1-pyridin-4-ylethanone
CID 157283979
1-(3-chlorophenyl)-2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]ethanone
CID 153248478
2-[2-[4-(2-hydroxyethoxy)phenyl]-3H-benzimidazol-5-yl]-1-[4-[2-hydroxyethyl(methyl)amino]phenyl]ethanone
CID 148607939
N-[4-(dimethylamino)phenyl]-2-[4-[[4-(dimethylamino)phenyl]carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 67686135
N-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]-2-[4-(dimethylamino)phenyl]-3H-benzimidazole-5-carboxamide
CID 67112793
N-[2-(4-benzylphenyl)-3H-benzimidazol-5-yl]-4-(dimethylamino)benzamide
CID 67686397
4-[6-[2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]-N-(4-morpholin-4-ylphenyl)benzamide
CID 148819854
4-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-N-phenylbenzamide
CID 141334498
2-[2-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-3H-benzimidazol-5-yl]-1-(4-morpholin-4-ylphenyl)ethanone
CID 149226429
methyl 4-[[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]carbamoyl]benzoate
CID 3568302
N-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide
CID 4175168
4-[amino-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]carbamoyl]benzoyl azide
CID 174690572

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,1,3-benzoxadiazol-5-yl)-3H-benzimidazol-5-yl]-1-[4-(dimethylamino)phenyl]ethanone?
The IUPAC name of 2-[2-(2,1,3-benzoxadiazol-5-yl)-3H-benzimidazol-5-yl]-1-[4-(dimethylamino)phenyl]ethanone (CID 149485443) is 2-[2-(2,1,3-benzoxadiazol-5-yl)-3H-benzimidazol-5-yl]-1-[4-(dimethylamino)phenyl]ethanone.
What is the SMILES notation for 2-[2-(2,1,3-benzoxadiazol-5-yl)-3H-benzimidazol-5-yl]-1-[4-(dimethylamino)phenyl]ethanone?
The canonical SMILES for 2-[2-(2,1,3-benzoxadiazol-5-yl)-3H-benzimidazol-5-yl]-1-[4-(dimethylamino)phenyl]ethanone is CN(C)c1ccc(C(=O)Cc2ccc3nc(-c4ccc5nonc5c4)[nH]c3c2)cc1.
What is the InChIKey of 2-[2-(2,1,3-benzoxadiazol-5-yl)-3H-benzimidazol-5-yl]-1-[4-(dimethylamino)phenyl]ethanone?
The InChIKey is ZEBQUNJODMDOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2/c1-28(2)17-7-4-15(5-8-17)22(29)12-14-3-9-18-20(11-14)25-23(24-18)16-6-10-19-21(13-16)27-30-26-19/h3-11,13H,12H2,1-2H3,(H,24,25).
What are the key properties of 2-[2-(2,1,3-benzoxadiazol-5-yl)-3H-benzimidazol-5-yl]-1-[4-(dimethylamino)phenyl]ethanone?
2-[2-(2,1,3-benzoxadiazol-5-yl)-3H-benzimidazol-5-yl]-1-[4-(dimethylamino)phenyl]ethanone has a molecular weight of 397.44 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,1,3-benzoxadiazol-5-yl)-3H-benzimidazol-5-yl]-1-[4-(dimethylamino)phenyl]ethanone is sourced from PubChem (CID 149485443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).