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

C20H22N4O2S — CID 118725846

IUPAC5-acetyl-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)Nc2nc3ccccc3n2CCN2CCCC2)s1
InChIInChI=1S/C20H22N4O2S/c1-14(25)17-8-9-18(27-17)19(26)22-20-21-15-6-2-3-7-16(15)24(20)13-12-23-10-4-5-11-23/h2-3,6-9H,4-5,10-13H2,1H3,(H,21,22,26)
InChIKeyTXZZDRODLKKDLE-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.65
Rot. Bonds6

About 5-acetyl-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]thiophene-2-carboxamide

5-acetyl-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]thiophene-2-carboxamide (PubChem CID 118725846) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is 5-acetyl-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]thiophene-2-carboxamide
PubChem CID118725846
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC Name5-acetyl-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)Nc2nc3ccccc3n2CCN2CCCC2)s1
InChIInChI=1S/C20H22N4O2S/c1-14(25)17-8-9-18(27-17)19(26)22-20-21-15-6-2-3-7-16(15)24(20)13-12-23-10-4-5-11-23/h2-3,6-9H,4-5,10-13H2,1H3,(H,21,22,26)
InChIKeyTXZZDRODLKKDLE-UHFFFAOYSA-N
XLogP3.65
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of 5-acetyl-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]thiophene-2-carboxamide (CID 118725846) is 5-acetyl-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-acetyl-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]thiophene-2-carboxamide is CC(=O)c1ccc(C(=O)Nc2nc3ccccc3n2CCN2CCCC2)s1.
What is the InChIKey of 5-acetyl-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]thiophene-2-carboxamide?
The InChIKey is TXZZDRODLKKDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-14(25)17-8-9-18(27-17)19(26)22-20-21-15-6-2-3-7-16(15)24(20)13-12-23-10-4-5-11-23/h2-3,6-9H,4-5,10-13H2,1H3,(H,21,22,26).
What are the key properties of 5-acetyl-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]thiophene-2-carboxamide?
5-acetyl-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]thiophene-2-carboxamide has a molecular weight of 382.49 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 118725846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).