N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,2-dimethylpropanamide

C20H23N3OS — CID 2114469

IUPACN-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2
InChIInChI=1S/C20H23N3OS/c1-20(2,3)19(24)23-18-16(12-8-4-7-11-15(12)25-18)17-21-13-9-5-6-10-14(13)22-17/h5-6,9-10H,4,7-8,11H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyNEZQNIDHYDPLTN-UHFFFAOYSA-N
MW353.49 g/mol
LogP5.15
Rot. Bonds2

About N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,2-dimethylpropanamide

N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,2-dimethylpropanamide (PubChem CID 2114469) has the molecular formula C20H23N3OS and a molecular weight of 353.49 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,2-dimethylpropanamide
PubChem CID2114469
Molecular FormulaC20H23N3OS
Molecular Weight353.49 g/mol
Exact Mass353.16
IUPAC NameN-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2
InChIInChI=1S/C20H23N3OS/c1-20(2,3)19(24)23-18-16(12-8-4-7-11-15(12)25-18)17-21-13-9-5-6-10-14(13)22-17/h5-6,9-10H,4,7-8,11H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyNEZQNIDHYDPLTN-UHFFFAOYSA-N
XLogP5.15
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.49
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,2-dimethylpropanamide with MolForge

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Related Compounds

2-(5-{4-[Amino(imino)methyl]phenyl}-2-thienyl)-1H-benzimidazole-6-carboximidamide dihydrochloride
CID 449090
N-{4-[2-(1H-Benzoimidazol-2-yl)-ethyl]-phenyl}-acetamide
CID 6487086
N-[4-(5-methyl-1H-benzimidazol-2-yl)phenyl]-2-(2-thienyl)acetamide
CID 839597
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-thiophen-2-ylacetamide
CID 868466
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-phenylsulfanylacetamide
CID 1340147
N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-2-phenylsulfanylacetamide
CID 2233956
4-(1H-benzimidazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]butanamide
CID 22633548
4-Amino-5-(1H-benzimidazol-2-yl)thieno[2,3-b]pyridin-6(7H)-one
CID 135839372
N-(2-phenyl-3H-benzimidazol-5-yl)thiophene-2-carboxamide
CID 831952
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-thiophen-2-ylacetamide
CID 889712
N-[3-(1H-Naphtho[2,3-d]imidazol-2-yl)-phenyl]-2-thiophen-2-yl-acetamide
CID 1107359
2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 1211247

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,2-dimethylpropanamide (CID 2114469) is N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,2-dimethylpropanamide?
The InChIKey is NEZQNIDHYDPLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3OS/c1-20(2,3)19(24)23-18-16(12-8-4-7-11-15(12)25-18)17-21-13-9-5-6-10-14(13)22-17/h5-6,9-10H,4,7-8,11H2,1-3H3,(H,21,22)(H,23,24).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,2-dimethylpropanamide?
N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,2-dimethylpropanamide has a molecular weight of 353.49 g/mol, XLogP of 5.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 2114469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).