2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-1-pyridin-4-ylethanone

C22H20N4O — CID 157283979

IUPAC2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-1-pyridin-4-ylethanone
SMILESCN(C)c1ccc(-c2nc3ccc(CC(=O)c4ccncc4)cc3[nH]2)cc1
InChIInChI=1S/C22H20N4O/c1-26(2)18-6-4-17(5-7-18)22-24-19-8-3-15(13-20(19)25-22)14-21(27)16-9-11-23-12-10-16/h3-13H,14H2,1-2H3,(H,24,25)
InChIKeyAZZVVKHLXYTSRL-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.12
Rot. Bonds5

About 2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-1-pyridin-4-ylethanone

2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-1-pyridin-4-ylethanone (PubChem CID 157283979) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-1-pyridin-4-ylethanone.

Molecular Properties

Compound Name2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-1-pyridin-4-ylethanone
PubChem CID157283979
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-1-pyridin-4-ylethanone
SMILESCN(C)c1ccc(-c2nc3ccc(CC(=O)c4ccncc4)cc3[nH]2)cc1
InChIInChI=1S/C22H20N4O/c1-26(2)18-6-4-17(5-7-18)22-24-19-8-3-15(13-20(19)25-22)14-21(27)16-9-11-23-12-10-16/h3-13H,14H2,1-2H3,(H,24,25)
InChIKeyAZZVVKHLXYTSRL-UHFFFAOYSA-N
XLogP4.12
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Related Compounds

1-(3-chlorophenyl)-2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]ethanone
CID 153248478
2-[2-(2,1,3-benzoxadiazol-5-yl)-3H-benzimidazol-5-yl]-1-[4-(dimethylamino)phenyl]ethanone
CID 149485443
2-[2-[4-(2-hydroxyethoxy)phenyl]-3H-benzimidazol-5-yl]-1-[4-[2-hydroxyethyl(methyl)amino]phenyl]ethanone
CID 148607939
N-[2-(4-benzylphenyl)-3H-benzimidazol-5-yl]-4-(dimethylamino)benzamide
CID 67686397
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
4-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-N-phenylbenzamide
CID 141334498
methyl 4-[[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]carbamoyl]benzoate
CID 3568302
(2-oxo-2-pyridin-4-ylethyl) 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 23831665
4-[6-[2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]-N-(4-morpholin-4-ylphenyl)benzamide
CID 148819854
2-pyridin-4-yl-3H-benzimidazole-5-carboxylic acid
CID 2771800
N-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide
CID 4175168

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-1-pyridin-4-ylethanone?
The IUPAC name of 2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-1-pyridin-4-ylethanone (CID 157283979) is 2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-1-pyridin-4-ylethanone.
What is the SMILES notation for 2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-1-pyridin-4-ylethanone?
The canonical SMILES for 2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-1-pyridin-4-ylethanone is CN(C)c1ccc(-c2nc3ccc(CC(=O)c4ccncc4)cc3[nH]2)cc1.
What is the InChIKey of 2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-1-pyridin-4-ylethanone?
The InChIKey is AZZVVKHLXYTSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c1-26(2)18-6-4-17(5-7-18)22-24-19-8-3-15(13-20(19)25-22)14-21(27)16-9-11-23-12-10-16/h3-13H,14H2,1-2H3,(H,24,25).
What are the key properties of 2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-1-pyridin-4-ylethanone?
2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-1-pyridin-4-ylethanone has a molecular weight of 356.43 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-1-pyridin-4-ylethanone is sourced from PubChem (CID 157283979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).