N-(2,5-dimethoxyphenyl)-1-ethyl-2-sulfanylidene-3H-benzimidazole-5-carboxamide

C18H19N3O3S — CID 17392150

IUPACN-(2,5-dimethoxyphenyl)-1-ethyl-2-sulfanylidene-3H-benzimidazole-5-carboxamide
SMILESCCn1c(=S)[nH]c2cc(C(=O)Nc3cc(OC)ccc3OC)ccc21
InChIInChI=1S/C18H19N3O3S/c1-4-21-15-7-5-11(9-13(15)20-18(21)25)17(22)19-14-10-12(23-2)6-8-16(14)24-3/h5-10H,4H2,1-3H3,(H,19,22)(H,20,25)
InChIKeyAKWPLAAHYFTVBV-UHFFFAOYSA-N
MW357.44 g/mol
LogP3.99
Rot. Bonds5

About N-(2,5-dimethoxyphenyl)-1-ethyl-2-sulfanylidene-3H-benzimidazole-5-carboxamide

N-(2,5-dimethoxyphenyl)-1-ethyl-2-sulfanylidene-3H-benzimidazole-5-carboxamide (PubChem CID 17392150) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-1-ethyl-2-sulfanylidene-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-1-ethyl-2-sulfanylidene-3H-benzimidazole-5-carboxamide
PubChem CID17392150
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC NameN-(2,5-dimethoxyphenyl)-1-ethyl-2-sulfanylidene-3H-benzimidazole-5-carboxamide
SMILESCCn1c(=S)[nH]c2cc(C(=O)Nc3cc(OC)ccc3OC)ccc21
InChIInChI=1S/C18H19N3O3S/c1-4-21-15-7-5-11(9-13(15)20-18(21)25)17(22)19-14-10-12(23-2)6-8-16(14)24-3/h5-10H,4H2,1-3H3,(H,19,22)(H,20,25)
InChIKeyAKWPLAAHYFTVBV-UHFFFAOYSA-N
XLogP3.99
TPSA68.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dimethoxyphenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide
CID 42534786
N-(2,5-dimethoxyphenyl)naphthalene-2-carboxamide
CID 4011159
N-(4-chloro-2,5-dimethoxyphenyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 26620345
methyl 4-[(2,5-dimethoxyphenyl)carbamoyl]benzoate
CID 16585566
3-ethyl-N-[4-(2-methoxyphenoxy)phenyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 24575698
N-(2,5-dimethoxyphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 40567340
N-(2,5-dimethoxyphenyl)-4-phenylbenzamide
CID 667706
4-methoxy-3-[(3-methoxybenzoyl)amino]-N-methylbenzamide
CID 87001832
4-N-(2,5-dimethoxyphenyl)-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109049315
1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 24564378
N-(2-methoxyphenyl)-3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 3408389
N-(2,5-dimethoxyphenyl)-3,5-dimethylbenzamide
CID 918722

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-1-ethyl-2-sulfanylidene-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-1-ethyl-2-sulfanylidene-3H-benzimidazole-5-carboxamide (CID 17392150) is N-(2,5-dimethoxyphenyl)-1-ethyl-2-sulfanylidene-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-1-ethyl-2-sulfanylidene-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-1-ethyl-2-sulfanylidene-3H-benzimidazole-5-carboxamide is CCn1c(=S)[nH]c2cc(C(=O)Nc3cc(OC)ccc3OC)ccc21.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-1-ethyl-2-sulfanylidene-3H-benzimidazole-5-carboxamide?
The InChIKey is AKWPLAAHYFTVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-4-21-15-7-5-11(9-13(15)20-18(21)25)17(22)19-14-10-12(23-2)6-8-16(14)24-3/h5-10H,4H2,1-3H3,(H,19,22)(H,20,25).
What are the key properties of N-(2,5-dimethoxyphenyl)-1-ethyl-2-sulfanylidene-3H-benzimidazole-5-carboxamide?
N-(2,5-dimethoxyphenyl)-1-ethyl-2-sulfanylidene-3H-benzimidazole-5-carboxamide has a molecular weight of 357.44 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-1-ethyl-2-sulfanylidene-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 17392150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).