N-cyclopentyl-2-(4-methoxyphenyl)-2-(2-thiophen-2-ylbenzimidazol-1-yl)acetamide

C25H25N3O2S — CID 53383179

IUPACN-cyclopentyl-2-(4-methoxyphenyl)-2-(2-thiophen-2-ylbenzimidazol-1-yl)acetamide
SMILESCOc1ccc(C(C(=O)NC2CCCC2)n2c(-c3cccs3)nc3ccccc32)cc1
InChIInChI=1S/C25H25N3O2S/c1-30-19-14-12-17(13-15-19)23(25(29)26-18-7-2-3-8-18)28-21-10-5-4-9-20(21)27-24(28)22-11-6-16-31-22/h4-6,9-16,18,23H,2-3,7-8H2,1H3,(H,26,29)
InChIKeyDJWPMMQBIJHEAD-UHFFFAOYSA-N
MW431.56 g/mol
LogP5.42
Rot. Bonds6

About N-cyclopentyl-2-(4-methoxyphenyl)-2-(2-thiophen-2-ylbenzimidazol-1-yl)acetamide

N-cyclopentyl-2-(4-methoxyphenyl)-2-(2-thiophen-2-ylbenzimidazol-1-yl)acetamide (PubChem CID 53383179) has the molecular formula C25H25N3O2S and a molecular weight of 431.56 g/mol. Its IUPAC name is N-cyclopentyl-2-(4-methoxyphenyl)-2-(2-thiophen-2-ylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(4-methoxyphenyl)-2-(2-thiophen-2-ylbenzimidazol-1-yl)acetamide
PubChem CID53383179
Molecular FormulaC25H25N3O2S
Molecular Weight431.56 g/mol
Exact Mass431.17
IUPAC NameN-cyclopentyl-2-(4-methoxyphenyl)-2-(2-thiophen-2-ylbenzimidazol-1-yl)acetamide
SMILESCOc1ccc(C(C(=O)NC2CCCC2)n2c(-c3cccs3)nc3ccccc32)cc1
InChIInChI=1S/C25H25N3O2S/c1-30-19-14-12-17(13-15-19)23(25(29)26-18-7-2-3-8-18)28-21-10-5-4-9-20(21)27-24(28)22-11-6-16-31-22/h4-6,9-16,18,23H,2-3,7-8H2,1H3,(H,26,29)
InChIKeyDJWPMMQBIJHEAD-UHFFFAOYSA-N
XLogP5.42
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.56
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(4-methoxyphenyl)-2-(2-thiophen-2-ylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-cyclopentyl-2-(4-methoxyphenyl)-2-(2-thiophen-2-ylbenzimidazol-1-yl)acetamide (CID 53383179) is N-cyclopentyl-2-(4-methoxyphenyl)-2-(2-thiophen-2-ylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(4-methoxyphenyl)-2-(2-thiophen-2-ylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-cyclopentyl-2-(4-methoxyphenyl)-2-(2-thiophen-2-ylbenzimidazol-1-yl)acetamide is COc1ccc(C(C(=O)NC2CCCC2)n2c(-c3cccs3)nc3ccccc32)cc1.
What is the InChIKey of N-cyclopentyl-2-(4-methoxyphenyl)-2-(2-thiophen-2-ylbenzimidazol-1-yl)acetamide?
The InChIKey is DJWPMMQBIJHEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2S/c1-30-19-14-12-17(13-15-19)23(25(29)26-18-7-2-3-8-18)28-21-10-5-4-9-20(21)27-24(28)22-11-6-16-31-22/h4-6,9-16,18,23H,2-3,7-8H2,1H3,(H,26,29).
What are the key properties of N-cyclopentyl-2-(4-methoxyphenyl)-2-(2-thiophen-2-ylbenzimidazol-1-yl)acetamide?
N-cyclopentyl-2-(4-methoxyphenyl)-2-(2-thiophen-2-ylbenzimidazol-1-yl)acetamide has a molecular weight of 431.56 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(4-methoxyphenyl)-2-(2-thiophen-2-ylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 53383179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).