1-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide

C17H20N6O2S — CID 72856655

IUPAC1-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide
SMILESCc1nnsc1CNC(=O)c1ccc2c(c1)nc(N1CCOCC1)n2C
InChIInChI=1S/C17H20N6O2S/c1-11-15(26-21-20-11)10-18-16(24)12-3-4-14-13(9-12)19-17(22(14)2)23-5-7-25-8-6-23/h3-4,9H,5-8,10H2,1-2H3,(H,18,24)
InChIKeyCMFIIMGINQAARK-UHFFFAOYSA-N
MW372.45 g/mol
LogP1.50
Rot. Bonds4

About 1-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide

1-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide (PubChem CID 72856655) has the molecular formula C17H20N6O2S and a molecular weight of 372.45 g/mol. Its IUPAC name is 1-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide
PubChem CID72856655
Molecular FormulaC17H20N6O2S
Molecular Weight372.45 g/mol
Exact Mass372.14
IUPAC Name1-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide
SMILESCc1nnsc1CNC(=O)c1ccc2c(c1)nc(N1CCOCC1)n2C
InChIInChI=1S/C17H20N6O2S/c1-11-15(26-21-20-11)10-18-16(24)12-3-4-14-13(9-12)19-17(22(14)2)23-5-7-25-8-6-23/h3-4,9H,5-8,10H2,1-2H3,(H,18,24)
InChIKeyCMFIIMGINQAARK-UHFFFAOYSA-N
XLogP1.50
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide (CID 72856655) is 1-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide is Cc1nnsc1CNC(=O)c1ccc2c(c1)nc(N1CCOCC1)n2C.
What is the InChIKey of 1-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide?
The InChIKey is CMFIIMGINQAARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2S/c1-11-15(26-21-20-11)10-18-16(24)12-3-4-14-13(9-12)19-17(22(14)2)23-5-7-25-8-6-23/h3-4,9H,5-8,10H2,1-2H3,(H,18,24).
What are the key properties of 1-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide?
1-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide has a molecular weight of 372.45 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide is sourced from PubChem (CID 72856655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).