4,5-dimethyl-N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-2-(tetrazol-1-yl)thiophene-3-carboxamide

C20H23N7OS — CID 128962606

IUPAC4,5-dimethyl-N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-2-(tetrazol-1-yl)thiophene-3-carboxamide
SMILESCc1sc(-n2cnnn2)c(C(=O)NC(c2nc3ccccc3n2C)C(C)C)c1C
InChIInChI=1S/C20H23N7OS/c1-11(2)17(18-22-14-8-6-7-9-15(14)26(18)5)23-19(28)16-12(3)13(4)29-20(16)27-10-21-24-25-27/h6-11,17H,1-5H3,(H,23,28)
InChIKeyWGIOFRZJUGVMDM-UHFFFAOYSA-N
MW409.52 g/mol
LogP3.35
Rot. Bonds5

About 4,5-dimethyl-N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-2-(tetrazol-1-yl)thiophene-3-carboxamide

4,5-dimethyl-N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-2-(tetrazol-1-yl)thiophene-3-carboxamide (PubChem CID 128962606) has the molecular formula C20H23N7OS and a molecular weight of 409.52 g/mol. Its IUPAC name is 4,5-dimethyl-N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-2-(tetrazol-1-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-2-(tetrazol-1-yl)thiophene-3-carboxamide
PubChem CID128962606
Molecular FormulaC20H23N7OS
Molecular Weight409.52 g/mol
Exact Mass409.17
IUPAC Name4,5-dimethyl-N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-2-(tetrazol-1-yl)thiophene-3-carboxamide
SMILESCc1sc(-n2cnnn2)c(C(=O)NC(c2nc3ccccc3n2C)C(C)C)c1C
InChIInChI=1S/C20H23N7OS/c1-11(2)17(18-22-14-8-6-7-9-15(14)26(18)5)23-19(28)16-12(3)13(4)29-20(16)27-10-21-24-25-27/h6-11,17H,1-5H3,(H,23,28)
InChIKeyWGIOFRZJUGVMDM-UHFFFAOYSA-N
XLogP3.35
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.52
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-2-(tetrazol-1-yl)thiophene-3-carboxamide?
The IUPAC name of 4,5-dimethyl-N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-2-(tetrazol-1-yl)thiophene-3-carboxamide (CID 128962606) is 4,5-dimethyl-N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-2-(tetrazol-1-yl)thiophene-3-carboxamide.
What is the SMILES notation for 4,5-dimethyl-N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-2-(tetrazol-1-yl)thiophene-3-carboxamide?
The canonical SMILES for 4,5-dimethyl-N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-2-(tetrazol-1-yl)thiophene-3-carboxamide is Cc1sc(-n2cnnn2)c(C(=O)NC(c2nc3ccccc3n2C)C(C)C)c1C.
What is the InChIKey of 4,5-dimethyl-N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-2-(tetrazol-1-yl)thiophene-3-carboxamide?
The InChIKey is WGIOFRZJUGVMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7OS/c1-11(2)17(18-22-14-8-6-7-9-15(14)26(18)5)23-19(28)16-12(3)13(4)29-20(16)27-10-21-24-25-27/h6-11,17H,1-5H3,(H,23,28).
What are the key properties of 4,5-dimethyl-N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-2-(tetrazol-1-yl)thiophene-3-carboxamide?
4,5-dimethyl-N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-2-(tetrazol-1-yl)thiophene-3-carboxamide has a molecular weight of 409.52 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-2-(tetrazol-1-yl)thiophene-3-carboxamide is sourced from PubChem (CID 128962606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).