5-(1-ethylbenzimidazol-2-yl)-N-(2-methoxy-5-methylphenyl)thiophene-2-carboxamide

C22H21N3O2S — CID 4711380

IUPAC5-(1-ethylbenzimidazol-2-yl)-N-(2-methoxy-5-methylphenyl)thiophene-2-carboxamide
SMILESCCn1c(-c2ccc(C(=O)Nc3cc(C)ccc3OC)s2)nc2ccccc21
InChIInChI=1S/C22H21N3O2S/c1-4-25-17-8-6-5-7-15(17)23-21(25)19-11-12-20(28-19)22(26)24-16-13-14(2)9-10-18(16)27-3/h5-13H,4H2,1-3H3,(H,24,26)
InChIKeyFQVHCAKQXZEDED-UHFFFAOYSA-N
MW391.50 g/mol
LogP5.35
Rot. Bonds5

About 5-(1-ethylbenzimidazol-2-yl)-N-(2-methoxy-5-methylphenyl)thiophene-2-carboxamide

5-(1-ethylbenzimidazol-2-yl)-N-(2-methoxy-5-methylphenyl)thiophene-2-carboxamide (PubChem CID 4711380) has the molecular formula C22H21N3O2S and a molecular weight of 391.50 g/mol. Its IUPAC name is 5-(1-ethylbenzimidazol-2-yl)-N-(2-methoxy-5-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(1-ethylbenzimidazol-2-yl)-N-(2-methoxy-5-methylphenyl)thiophene-2-carboxamide
PubChem CID4711380
Molecular FormulaC22H21N3O2S
Molecular Weight391.50 g/mol
Exact Mass391.14
IUPAC Name5-(1-ethylbenzimidazol-2-yl)-N-(2-methoxy-5-methylphenyl)thiophene-2-carboxamide
SMILESCCn1c(-c2ccc(C(=O)Nc3cc(C)ccc3OC)s2)nc2ccccc21
InChIInChI=1S/C22H21N3O2S/c1-4-25-17-8-6-5-7-15(17)23-21(25)19-11-12-20(28-19)22(26)24-16-13-14(2)9-10-18(16)27-3/h5-13H,4H2,1-3H3,(H,24,26)
InChIKeyFQVHCAKQXZEDED-UHFFFAOYSA-N
XLogP5.35
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.50
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-ethylbenzimidazol-2-yl)-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 4731849
5-(1-ethylbenzimidazol-2-yl)-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 4224270
5-(1-ethylbenzimidazol-2-yl)-N',N'-diphenylthiophene-2-carbohydrazide
CID 4731905
N-cyclohexyl-5-(1-ethylbenzimidazol-2-yl)thiophene-2-carboxamide
CID 4731876
N-(3,5-dimethylphenyl)-5-(1-methylbenzimidazol-2-yl)thiophene-2-carboxamide
CID 4731697
N-(4-bromophenyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide
CID 4732064
N'-(2,4-dinitrophenyl)-5-(1-ethylbenzimidazol-2-yl)thiophene-2-carbohydrazide
CID 4731962
2-[1-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzimidazol-2-yl]-N-methylacetamide
CID 1153614
N'-(4-methylphenyl)sulfonyl-5-(1-propylbenzimidazol-2-yl)thiophene-2-carbohydrazide
CID 4732104
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxy-5-methylphenyl)thiophene-2-carboxamide
CID 37344996
2-[2-(benzylamino)benzimidazol-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 9119353
4-ethyl-N-(2-methoxy-5-methylphenyl)-5-methylthiophene-2-carboxamide
CID 26414195

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylbenzimidazol-2-yl)-N-(2-methoxy-5-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of 5-(1-ethylbenzimidazol-2-yl)-N-(2-methoxy-5-methylphenyl)thiophene-2-carboxamide (CID 4711380) is 5-(1-ethylbenzimidazol-2-yl)-N-(2-methoxy-5-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(1-ethylbenzimidazol-2-yl)-N-(2-methoxy-5-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(1-ethylbenzimidazol-2-yl)-N-(2-methoxy-5-methylphenyl)thiophene-2-carboxamide is CCn1c(-c2ccc(C(=O)Nc3cc(C)ccc3OC)s2)nc2ccccc21.
What is the InChIKey of 5-(1-ethylbenzimidazol-2-yl)-N-(2-methoxy-5-methylphenyl)thiophene-2-carboxamide?
The InChIKey is FQVHCAKQXZEDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2S/c1-4-25-17-8-6-5-7-15(17)23-21(25)19-11-12-20(28-19)22(26)24-16-13-14(2)9-10-18(16)27-3/h5-13H,4H2,1-3H3,(H,24,26).
What are the key properties of 5-(1-ethylbenzimidazol-2-yl)-N-(2-methoxy-5-methylphenyl)thiophene-2-carboxamide?
5-(1-ethylbenzimidazol-2-yl)-N-(2-methoxy-5-methylphenyl)thiophene-2-carboxamide has a molecular weight of 391.50 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylbenzimidazol-2-yl)-N-(2-methoxy-5-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 4711380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).