N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-5-thiophen-2-ylpyrazolidine-3-carboxamide

C25H27N5OS — CID 75187239

IUPACN-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-5-thiophen-2-ylpyrazolidine-3-carboxamide
SMILESCCn1c(CCc2ccc(NC(=O)C3CC(c4cccs4)NN3)cc2)nc2ccccc21
InChIInChI=1S/C25H27N5OS/c1-2-30-22-7-4-3-6-19(22)27-24(30)14-11-17-9-12-18(13-10-17)26-25(31)21-16-20(28-29-21)23-8-5-15-32-23/h3-10,12-13,15,20-21,28-29H,2,11,14,16H2,1H3,(H,26,31)
InChIKeyHBGJHRGHFAHAJW-UHFFFAOYSA-N
MW445.59 g/mol
LogP4.45
Rot. Bonds7

About N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-5-thiophen-2-ylpyrazolidine-3-carboxamide

N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-5-thiophen-2-ylpyrazolidine-3-carboxamide (PubChem CID 75187239) has the molecular formula C25H27N5OS and a molecular weight of 445.59 g/mol. Its IUPAC name is N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-5-thiophen-2-ylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-5-thiophen-2-ylpyrazolidine-3-carboxamide
PubChem CID75187239
Molecular FormulaC25H27N5OS
Molecular Weight445.59 g/mol
Exact Mass445.19
IUPAC NameN-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-5-thiophen-2-ylpyrazolidine-3-carboxamide
SMILESCCn1c(CCc2ccc(NC(=O)C3CC(c4cccs4)NN3)cc2)nc2ccccc21
InChIInChI=1S/C25H27N5OS/c1-2-30-22-7-4-3-6-19(22)27-24(30)14-11-17-9-12-18(13-10-17)26-25(31)21-16-20(28-29-21)23-8-5-15-32-23/h3-10,12-13,15,20-21,28-29H,2,11,14,16H2,1H3,(H,26,31)
InChIKeyHBGJHRGHFAHAJW-UHFFFAOYSA-N
XLogP4.45
TPSA70.98 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]cyclopropanecarboxamide
CID 50765566
1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(4-propylphenyl)piperidine-4-carboxamide
CID 124830583
N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3-methoxybenzamide
CID 50765558
N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 50765570
N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 94070093
1-(5-chloro-2-methoxyphenyl)-3-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 46382310
N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
CID 50765544
N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 50822902
ethane;2-(1-ethylbenzimidazol-2-yl)ethanol
CID 142101886
1-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-phenylurea
CID 46382333
(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(4-fluorophenyl)piperidine-3-carboxamide
CID 124831327
N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide
CID 46290501

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-5-thiophen-2-ylpyrazolidine-3-carboxamide?
The IUPAC name of N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-5-thiophen-2-ylpyrazolidine-3-carboxamide (CID 75187239) is N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-5-thiophen-2-ylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-5-thiophen-2-ylpyrazolidine-3-carboxamide?
The canonical SMILES for N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-5-thiophen-2-ylpyrazolidine-3-carboxamide is CCn1c(CCc2ccc(NC(=O)C3CC(c4cccs4)NN3)cc2)nc2ccccc21.
What is the InChIKey of N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-5-thiophen-2-ylpyrazolidine-3-carboxamide?
The InChIKey is HBGJHRGHFAHAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5OS/c1-2-30-22-7-4-3-6-19(22)27-24(30)14-11-17-9-12-18(13-10-17)26-25(31)21-16-20(28-29-21)23-8-5-15-32-23/h3-10,12-13,15,20-21,28-29H,2,11,14,16H2,1H3,(H,26,31).
What are the key properties of N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-5-thiophen-2-ylpyrazolidine-3-carboxamide?
N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-5-thiophen-2-ylpyrazolidine-3-carboxamide has a molecular weight of 445.59 g/mol, XLogP of 4.45, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-5-thiophen-2-ylpyrazolidine-3-carboxamide is sourced from PubChem (CID 75187239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).