1-(4-chlorophenyl)-2-[2-[4-(dimethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]ethanone

C19H16ClN5O2 — CID 67462508

IUPAC1-(4-chlorophenyl)-2-[2-[4-(dimethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]ethanone
SMILESCN(C)c1nonc1-c1nc2ccccc2n1CC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H16ClN5O2/c1-24(2)19-17(22-27-23-19)18-21-14-5-3-4-6-15(14)25(18)11-16(26)12-7-9-13(20)10-8-12/h3-10H,11H2,1-2H3
InChIKeyIJEIKZZWNXYKRY-UHFFFAOYSA-N
MW381.82 g/mol
LogP3.69
Rot. Bonds5

About 1-(4-chlorophenyl)-2-[2-[4-(dimethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]ethanone

1-(4-chlorophenyl)-2-[2-[4-(dimethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]ethanone (PubChem CID 67462508) has the molecular formula C19H16ClN5O2 and a molecular weight of 381.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[2-[4-(dimethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[2-[4-(dimethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]ethanone
PubChem CID67462508
Molecular FormulaC19H16ClN5O2
Molecular Weight381.82 g/mol
Exact Mass381.10
IUPAC Name1-(4-chlorophenyl)-2-[2-[4-(dimethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]ethanone
SMILESCN(C)c1nonc1-c1nc2ccccc2n1CC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H16ClN5O2/c1-24(2)19-17(22-27-23-19)18-21-14-5-3-4-6-15(14)25(18)11-16(26)12-7-9-13(20)10-8-12/h3-10H,11H2,1-2H3
InChIKeyIJEIKZZWNXYKRY-UHFFFAOYSA-N
XLogP3.69
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(4-chlorophenyl)-2-[2-[4-(dimethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-1-(4-chlorophenyl)ethylidene]hydroxylamine;methoxymethane
CID 173038985
2-[2-(4-chlorobenzoyl)benzimidazol-1-yl]-1-phenylethanone
CID 51032263
1-(4-chlorophenyl)-2-[2-[(2-methylphenoxy)methyl]benzimidazol-1-yl]ethanone
CID 16997817
2-(2-methylbenzimidazol-1-yl)-1-(4-methylphenyl)ethanone
CID 39917000
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-ethyl-N-phenylacetamide
CID 17001099
1-(4-chlorophenyl)-2-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]ethanone
CID 19243714
1-[2-(4-chlorophenyl)-2-oxoethyl]-2-methylpyrimido[1,2-a]benzimidazol-4-one
CID 16767176
(2S)-2-amino-N-[4-[2-[2-[4-(2-aminoethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetyl]phenyl]-4-methylpentanamide
CID 70792390
N-[4-[2-[2-[4-(2-cyanoethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetyl]phenyl]propanamide
CID 70905959
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-1-(4-methylphenyl)ethanone
CID 84571531
1-(4-chlorophenyl)-2-[2-[(2-methoxyphenoxy)methyl]benzimidazol-1-yl]ethanone
CID 16997569
ethyl 4-[[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]amino]benzoate
CID 1017543

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[2-[4-(dimethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]ethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-[2-[4-(dimethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]ethanone (CID 67462508) is 1-(4-chlorophenyl)-2-[2-[4-(dimethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]ethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[2-[4-(dimethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]ethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-[2-[4-(dimethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]ethanone is CN(C)c1nonc1-c1nc2ccccc2n1CC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[2-[4-(dimethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]ethanone?
The InChIKey is IJEIKZZWNXYKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O2/c1-24(2)19-17(22-27-23-19)18-21-14-5-3-4-6-15(14)25(18)11-16(26)12-7-9-13(20)10-8-12/h3-10H,11H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-2-[2-[4-(dimethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]ethanone?
1-(4-chlorophenyl)-2-[2-[4-(dimethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]ethanone has a molecular weight of 381.82 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[2-[4-(dimethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]ethanone is sourced from PubChem (CID 67462508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).