N-methyl-5-[(2-methylbenzimidazol-1-yl)methyl]-N-(thiophen-3-ylmethyl)pyrazolidine-3-carboxamide

C19H23N5OS — CID 74809978

IUPACN-methyl-5-[(2-methylbenzimidazol-1-yl)methyl]-N-(thiophen-3-ylmethyl)pyrazolidine-3-carboxamide
SMILESCc1nc2ccccc2n1CC1CC(C(=O)N(C)Cc2ccsc2)NN1
InChIInChI=1S/C19H23N5OS/c1-13-20-16-5-3-4-6-18(16)24(13)11-15-9-17(22-21-15)19(25)23(2)10-14-7-8-26-12-14/h3-8,12,15,17,21-22H,9-11H2,1-2H3
InChIKeyWTABQADZCDLGPH-UHFFFAOYSA-N
MW369.49 g/mol
LogP2.30
Rot. Bonds5

About N-methyl-5-[(2-methylbenzimidazol-1-yl)methyl]-N-(thiophen-3-ylmethyl)pyrazolidine-3-carboxamide

N-methyl-5-[(2-methylbenzimidazol-1-yl)methyl]-N-(thiophen-3-ylmethyl)pyrazolidine-3-carboxamide (PubChem CID 74809978) has the molecular formula C19H23N5OS and a molecular weight of 369.49 g/mol. Its IUPAC name is N-methyl-5-[(2-methylbenzimidazol-1-yl)methyl]-N-(thiophen-3-ylmethyl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[(2-methylbenzimidazol-1-yl)methyl]-N-(thiophen-3-ylmethyl)pyrazolidine-3-carboxamide
PubChem CID74809978
Molecular FormulaC19H23N5OS
Molecular Weight369.49 g/mol
Exact Mass369.16
IUPAC NameN-methyl-5-[(2-methylbenzimidazol-1-yl)methyl]-N-(thiophen-3-ylmethyl)pyrazolidine-3-carboxamide
SMILESCc1nc2ccccc2n1CC1CC(C(=O)N(C)Cc2ccsc2)NN1
InChIInChI=1S/C19H23N5OS/c1-13-20-16-5-3-4-6-18(16)24(13)11-15-9-17(22-21-15)19(25)23(2)10-14-7-8-26-12-14/h3-8,12,15,17,21-22H,9-11H2,1-2H3
InChIKeyWTABQADZCDLGPH-UHFFFAOYSA-N
XLogP2.30
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[(2-methylbenzimidazol-1-yl)methyl]-N-(thiophen-3-ylmethyl)pyrazolidine-3-carboxamide?
The IUPAC name of N-methyl-5-[(2-methylbenzimidazol-1-yl)methyl]-N-(thiophen-3-ylmethyl)pyrazolidine-3-carboxamide (CID 74809978) is N-methyl-5-[(2-methylbenzimidazol-1-yl)methyl]-N-(thiophen-3-ylmethyl)pyrazolidine-3-carboxamide.
What is the SMILES notation for N-methyl-5-[(2-methylbenzimidazol-1-yl)methyl]-N-(thiophen-3-ylmethyl)pyrazolidine-3-carboxamide?
The canonical SMILES for N-methyl-5-[(2-methylbenzimidazol-1-yl)methyl]-N-(thiophen-3-ylmethyl)pyrazolidine-3-carboxamide is Cc1nc2ccccc2n1CC1CC(C(=O)N(C)Cc2ccsc2)NN1.
What is the InChIKey of N-methyl-5-[(2-methylbenzimidazol-1-yl)methyl]-N-(thiophen-3-ylmethyl)pyrazolidine-3-carboxamide?
The InChIKey is WTABQADZCDLGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OS/c1-13-20-16-5-3-4-6-18(16)24(13)11-15-9-17(22-21-15)19(25)23(2)10-14-7-8-26-12-14/h3-8,12,15,17,21-22H,9-11H2,1-2H3.
What are the key properties of N-methyl-5-[(2-methylbenzimidazol-1-yl)methyl]-N-(thiophen-3-ylmethyl)pyrazolidine-3-carboxamide?
N-methyl-5-[(2-methylbenzimidazol-1-yl)methyl]-N-(thiophen-3-ylmethyl)pyrazolidine-3-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[(2-methylbenzimidazol-1-yl)methyl]-N-(thiophen-3-ylmethyl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 74809978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).