4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide

C20H24N4O3S — CID 66557149

IUPAC4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide
SMILESCOc1ccc2c(c1)n(CC1CCC(C(=O)Nc3nccs3)CC1)c(=O)n2C
InChIInChI=1S/C20H24N4O3S/c1-23-16-8-7-15(27-2)11-17(16)24(20(23)26)12-13-3-5-14(6-4-13)18(25)22-19-21-9-10-28-19/h7-11,13-14H,3-6,12H2,1-2H3,(H,21,22,25)
InChIKeyAKESSTOTTAAEHD-UHFFFAOYSA-N
MW400.50 g/mol
LogP3.25
Rot. Bonds5

About 4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide

4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide (PubChem CID 66557149) has the molecular formula C20H24N4O3S and a molecular weight of 400.50 g/mol. Its IUPAC name is 4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide
PubChem CID66557149
Molecular FormulaC20H24N4O3S
Molecular Weight400.50 g/mol
Exact Mass400.16
IUPAC Name4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide
SMILESCOc1ccc2c(c1)n(CC1CCC(C(=O)Nc3nccs3)CC1)c(=O)n2C
InChIInChI=1S/C20H24N4O3S/c1-23-16-8-7-15(27-2)11-17(16)24(20(23)26)12-13-3-5-14(6-4-13)18(25)22-19-21-9-10-28-19/h7-11,13-14H,3-6,12H2,1-2H3,(H,21,22,25)
InChIKeyAKESSTOTTAAEHD-UHFFFAOYSA-N
XLogP3.25
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide (CID 66557149) is 4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide is COc1ccc2c(c1)n(CC1CCC(C(=O)Nc3nccs3)CC1)c(=O)n2C.
What is the InChIKey of 4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide?
The InChIKey is AKESSTOTTAAEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S/c1-23-16-8-7-15(27-2)11-17(16)24(20(23)26)12-13-3-5-14(6-4-13)18(25)22-19-21-9-10-28-19/h7-11,13-14H,3-6,12H2,1-2H3,(H,21,22,25).
What are the key properties of 4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide?
4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide has a molecular weight of 400.50 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 66557149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).