N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzothiophene-2-carboxamide

C22H22N4OS — CID 118725848

IUPACN-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1nc2ccccc2n1CCN1CCCC1)c1cc2ccccc2s1
InChIInChI=1S/C22H22N4OS/c27-21(20-15-16-7-1-4-10-19(16)28-20)24-22-23-17-8-2-3-9-18(17)26(22)14-13-25-11-5-6-12-25/h1-4,7-10,15H,5-6,11-14H2,(H,23,24,27)
InChIKeyXCCZHGCDEGWFPR-UHFFFAOYSA-N
MW390.51 g/mol
LogP4.60
Rot. Bonds5

About N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzothiophene-2-carboxamide

N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzothiophene-2-carboxamide (PubChem CID 118725848) has the molecular formula C22H22N4OS and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzothiophene-2-carboxamide
PubChem CID118725848
Molecular FormulaC22H22N4OS
Molecular Weight390.51 g/mol
Exact Mass390.15
IUPAC NameN-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1nc2ccccc2n1CCN1CCCC1)c1cc2ccccc2s1
InChIInChI=1S/C22H22N4OS/c27-21(20-15-16-7-1-4-10-19(16)28-20)24-22-23-17-8-2-3-9-18(17)26(22)14-13-25-11-5-6-12-25/h1-4,7-10,15H,5-6,11-14H2,(H,23,24,27)
InChIKeyXCCZHGCDEGWFPR-UHFFFAOYSA-N
XLogP4.60
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzothiophene-2-carboxamide (CID 118725848) is N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzothiophene-2-carboxamide is O=C(Nc1nc2ccccc2n1CCN1CCCC1)c1cc2ccccc2s1.
What is the InChIKey of N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzothiophene-2-carboxamide?
The InChIKey is XCCZHGCDEGWFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4OS/c27-21(20-15-16-7-1-4-10-19(16)28-20)24-22-23-17-8-2-3-9-18(17)26(22)14-13-25-11-5-6-12-25/h1-4,7-10,15H,5-6,11-14H2,(H,23,24,27).
What are the key properties of N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzothiophene-2-carboxamide?
N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzothiophene-2-carboxamide has a molecular weight of 390.51 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 118725848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).