N-tert-butyl-2-[2-(4-methylthiophen-2-yl)benzimidazol-1-yl]-2-phenylacetamide

C24H25N3OS — CID 53383219

IUPACN-tert-butyl-2-[2-(4-methylthiophen-2-yl)benzimidazol-1-yl]-2-phenylacetamide
SMILESCc1csc(-c2nc3ccccc3n2C(C(=O)NC(C)(C)C)c2ccccc2)c1
InChIInChI=1S/C24H25N3OS/c1-16-14-20(29-15-16)22-25-18-12-8-9-13-19(18)27(22)21(17-10-6-5-7-11-17)23(28)26-24(2,3)4/h5-15,21H,1-4H3,(H,26,28)
InChIKeyAPTALLRFQBHSED-UHFFFAOYSA-N
MW403.55 g/mol
LogP5.58
Rot. Bonds4

About N-tert-butyl-2-[2-(4-methylthiophen-2-yl)benzimidazol-1-yl]-2-phenylacetamide

N-tert-butyl-2-[2-(4-methylthiophen-2-yl)benzimidazol-1-yl]-2-phenylacetamide (PubChem CID 53383219) has the molecular formula C24H25N3OS and a molecular weight of 403.55 g/mol. Its IUPAC name is N-tert-butyl-2-[2-(4-methylthiophen-2-yl)benzimidazol-1-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[2-(4-methylthiophen-2-yl)benzimidazol-1-yl]-2-phenylacetamide
PubChem CID53383219
Molecular FormulaC24H25N3OS
Molecular Weight403.55 g/mol
Exact Mass403.17
IUPAC NameN-tert-butyl-2-[2-(4-methylthiophen-2-yl)benzimidazol-1-yl]-2-phenylacetamide
SMILESCc1csc(-c2nc3ccccc3n2C(C(=O)NC(C)(C)C)c2ccccc2)c1
InChIInChI=1S/C24H25N3OS/c1-16-14-20(29-15-16)22-25-18-12-8-9-13-19(18)27(22)21(17-10-6-5-7-11-17)23(28)26-24(2,3)4/h5-15,21H,1-4H3,(H,26,28)
InChIKeyAPTALLRFQBHSED-UHFFFAOYSA-N
XLogP5.58
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.55
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[2-(4-methylthiophen-2-yl)benzimidazol-1-yl]-2-phenylacetamide?
The IUPAC name of N-tert-butyl-2-[2-(4-methylthiophen-2-yl)benzimidazol-1-yl]-2-phenylacetamide (CID 53383219) is N-tert-butyl-2-[2-(4-methylthiophen-2-yl)benzimidazol-1-yl]-2-phenylacetamide.
What is the SMILES notation for N-tert-butyl-2-[2-(4-methylthiophen-2-yl)benzimidazol-1-yl]-2-phenylacetamide?
The canonical SMILES for N-tert-butyl-2-[2-(4-methylthiophen-2-yl)benzimidazol-1-yl]-2-phenylacetamide is Cc1csc(-c2nc3ccccc3n2C(C(=O)NC(C)(C)C)c2ccccc2)c1.
What is the InChIKey of N-tert-butyl-2-[2-(4-methylthiophen-2-yl)benzimidazol-1-yl]-2-phenylacetamide?
The InChIKey is APTALLRFQBHSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3OS/c1-16-14-20(29-15-16)22-25-18-12-8-9-13-19(18)27(22)21(17-10-6-5-7-11-17)23(28)26-24(2,3)4/h5-15,21H,1-4H3,(H,26,28).
What are the key properties of N-tert-butyl-2-[2-(4-methylthiophen-2-yl)benzimidazol-1-yl]-2-phenylacetamide?
N-tert-butyl-2-[2-(4-methylthiophen-2-yl)benzimidazol-1-yl]-2-phenylacetamide has a molecular weight of 403.55 g/mol, XLogP of 5.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[2-(4-methylthiophen-2-yl)benzimidazol-1-yl]-2-phenylacetamide is sourced from PubChem (CID 53383219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).