4-(benzimidazol-1-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide

C24H24N4OS — CID 24625049

IUPAC4-(benzimidazol-1-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
SMILESO=C(NCC(c1cccs1)N1CCCC1)c1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C24H24N4OS/c29-24(25-16-22(23-8-5-15-30-23)27-13-3-4-14-27)18-9-11-19(12-10-18)28-17-26-20-6-1-2-7-21(20)28/h1-2,5-12,15,17,22H,3-4,13-14,16H2,(H,25,29)
InChIKeyBWGJPEKBDFBRSG-UHFFFAOYSA-N
MW416.55 g/mol
LogP4.65
Rot. Bonds6

About 4-(benzimidazol-1-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide

4-(benzimidazol-1-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide (PubChem CID 24625049) has the molecular formula C24H24N4OS and a molecular weight of 416.55 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
PubChem CID24625049
Molecular FormulaC24H24N4OS
Molecular Weight416.55 g/mol
Exact Mass416.17
IUPAC Name4-(benzimidazol-1-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
SMILESO=C(NCC(c1cccs1)N1CCCC1)c1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C24H24N4OS/c29-24(25-16-22(23-8-5-15-30-23)27-13-3-4-14-27)18-9-11-19(12-10-18)28-17-26-20-6-1-2-7-21(20)28/h1-2,5-12,15,17,22H,3-4,13-14,16H2,(H,25,29)
InChIKeyBWGJPEKBDFBRSG-UHFFFAOYSA-N
XLogP4.65
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.55
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-iodo-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 43006512
N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34950040
N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 35042267
4-phenyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 42917071
4-bromo-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17012026
4-chloro-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34949920
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-4-chlorobenzamide;hydrochloride
CID 52984491
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-4-fluorobenzamide;hydrochloride
CID 52984653
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-4-tert-butylbenzamide;hydrochloride
CID 52984647
4-(benzimidazol-1-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31333795
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-4-ethoxybenzamide
CID 17012429
N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)-4-propan-2-yloxybenzamide
CID 17012146

Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 4-(benzimidazol-1-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide (CID 24625049) is 4-(benzimidazol-1-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 4-(benzimidazol-1-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 4-(benzimidazol-1-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide is O=C(NCC(c1cccs1)N1CCCC1)c1ccc(-n2cnc3ccccc32)cc1.
What is the InChIKey of 4-(benzimidazol-1-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide?
The InChIKey is BWGJPEKBDFBRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4OS/c29-24(25-16-22(23-8-5-15-30-23)27-13-3-4-14-27)18-9-11-19(12-10-18)28-17-26-20-6-1-2-7-21(20)28/h1-2,5-12,15,17,22H,3-4,13-14,16H2,(H,25,29).
What are the key properties of 4-(benzimidazol-1-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide?
4-(benzimidazol-1-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide has a molecular weight of 416.55 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 24625049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).