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

C18H20N4OS — CID 118725845

IUPACN-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]thiophene-2-carboxamide
SMILESO=C(Nc1nc2ccccc2n1CCN1CCCC1)c1cccs1
InChIInChI=1S/C18H20N4OS/c23-17(16-8-5-13-24-16)20-18-19-14-6-1-2-7-15(14)22(18)12-11-21-9-3-4-10-21/h1-2,5-8,13H,3-4,9-12H2,(H,19,20,23)
InChIKeyBWSGHMDSHBFQMT-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.45
Rot. Bonds5

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

N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]thiophene-2-carboxamide (PubChem CID 118725845) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]thiophene-2-carboxamide
PubChem CID118725845
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC NameN-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]thiophene-2-carboxamide
SMILESO=C(Nc1nc2ccccc2n1CCN1CCCC1)c1cccs1
InChIInChI=1S/C18H20N4OS/c23-17(16-8-5-13-24-16)20-18-19-14-6-1-2-7-15(14)22(18)12-11-21-9-3-4-10-21/h1-2,5-8,13H,3-4,9-12H2,(H,19,20,23)
InChIKeyBWSGHMDSHBFQMT-UHFFFAOYSA-N
XLogP3.45
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.45
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]thiophene-2-carboxamide?
The IUPAC name of N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]thiophene-2-carboxamide (CID 118725845) is N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]thiophene-2-carboxamide is O=C(Nc1nc2ccccc2n1CCN1CCCC1)c1cccs1.
What is the InChIKey of N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]thiophene-2-carboxamide?
The InChIKey is BWSGHMDSHBFQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c23-17(16-8-5-13-24-16)20-18-19-14-6-1-2-7-15(14)22(18)12-11-21-9-3-4-10-21/h1-2,5-8,13H,3-4,9-12H2,(H,19,20,23).
What are the key properties of N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]thiophene-2-carboxamide?
N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]thiophene-2-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 3.45, 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]thiophene-2-carboxamide is sourced from PubChem (CID 118725845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).