N-(2-ethoxyphenyl)-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbothioamide

C18H18N4OS — CID 66504659

IUPACN-(2-ethoxyphenyl)-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbothioamide
SMILESCCOc1ccccc1NC(=S)N1CCn2c1nc1ccccc12
InChIInChI=1S/C18H18N4OS/c1-2-23-16-10-6-4-8-14(16)20-18(24)22-12-11-21-15-9-5-3-7-13(15)19-17(21)22/h3-10H,2,11-12H2,1H3,(H,20,24)
InChIKeyRWZHVNFQBPJAHA-UHFFFAOYSA-N
MW338.44 g/mol
LogP3.65
Rot. Bonds3

About N-(2-ethoxyphenyl)-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbothioamide

N-(2-ethoxyphenyl)-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbothioamide (PubChem CID 66504659) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbothioamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbothioamide
PubChem CID66504659
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC NameN-(2-ethoxyphenyl)-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbothioamide
SMILESCCOc1ccccc1NC(=S)N1CCn2c1nc1ccccc12
InChIInChI=1S/C18H18N4OS/c1-2-23-16-10-6-4-8-14(16)20-18(24)22-12-11-21-15-9-5-3-7-13(15)19-17(21)22/h3-10H,2,11-12H2,1H3,(H,20,24)
InChIKeyRWZHVNFQBPJAHA-UHFFFAOYSA-N
XLogP3.65
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylphenyl)-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole-1-carbothioamide
CID 66504623
N-(3-chloro-2-methylphenyl)-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole-1-carbothioamide
CID 66504618
N-cyclohexyl-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbothioamide
CID 7504061
N-(2-ethoxyphenyl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide
CID 46375427
N-(3-methylsulfanylpropyl)-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbothioamide
CID 7504100
N-(2-ethoxyphenyl)-1,3-thiazolidine-3-carbothioamide
CID 23907854
N-(2-ethoxyphenyl)-2,5-dihydropyrrole-1-carbothioamide
CID 23828847
N-(2-ethoxyphenyl)morpholine-4-carbothioamide
CID 3863223
N-(2-ethoxyphenyl)-2-quinoxalin-2-ylsulfanylacetamide
CID 34905335
1-(4,6-dimethylpyrimidin-2-yl)-3-(2-ethoxyphenyl)thiourea
CID 19678089
4-[(3,4-dichlorophenyl)methyl]-N-(2-ethoxyphenyl)piperazine-1-carbothioamide
CID 2957065
N-[2-(2-ethoxyphenyl)phenyl]-4-methyl-3-oxoquinoxaline-2-carboxamide
CID 46976106

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbothioamide?
The IUPAC name of N-(2-ethoxyphenyl)-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbothioamide (CID 66504659) is N-(2-ethoxyphenyl)-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbothioamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbothioamide?
The canonical SMILES for N-(2-ethoxyphenyl)-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbothioamide is CCOc1ccccc1NC(=S)N1CCn2c1nc1ccccc12.
What is the InChIKey of N-(2-ethoxyphenyl)-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbothioamide?
The InChIKey is RWZHVNFQBPJAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c1-2-23-16-10-6-4-8-14(16)20-18(24)22-12-11-21-15-9-5-3-7-13(15)19-17(21)22/h3-10H,2,11-12H2,1H3,(H,20,24).
What are the key properties of N-(2-ethoxyphenyl)-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbothioamide?
N-(2-ethoxyphenyl)-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbothioamide has a molecular weight of 338.44 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbothioamide is sourced from PubChem (CID 66504659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).