N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)-2-(2-hydroxyethoxy)benzamide

C21H25N3O5 — CID 127044825

IUPACN-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)-2-(2-hydroxyethoxy)benzamide
SMILESCC(C)Oc1cc2c(cc1NC(=O)c1ccccc1OCCO)n(C)c(=O)n2C
InChIInChI=1S/C21H25N3O5/c1-13(2)29-19-12-17-16(23(3)21(27)24(17)4)11-15(19)22-20(26)14-7-5-6-8-18(14)28-10-9-25/h5-8,11-13,25H,9-10H2,1-4H3,(H,22,26)
InChIKeyFETKWRHEJYDIST-UHFFFAOYSA-N
MW399.45 g/mol
LogP2.29
Rot. Bonds7

About N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)-2-(2-hydroxyethoxy)benzamide

N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)-2-(2-hydroxyethoxy)benzamide (PubChem CID 127044825) has the molecular formula C21H25N3O5 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)-2-(2-hydroxyethoxy)benzamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)-2-(2-hydroxyethoxy)benzamide
PubChem CID127044825
Molecular FormulaC21H25N3O5
Molecular Weight399.45 g/mol
Exact Mass399.18
IUPAC NameN-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)-2-(2-hydroxyethoxy)benzamide
SMILESCC(C)Oc1cc2c(cc1NC(=O)c1ccccc1OCCO)n(C)c(=O)n2C
InChIInChI=1S/C21H25N3O5/c1-13(2)29-19-12-17-16(23(3)21(27)24(17)4)11-15(19)22-20(26)14-7-5-6-8-18(14)28-10-9-25/h5-8,11-13,25H,9-10H2,1-4H3,(H,22,26)
InChIKeyFETKWRHEJYDIST-UHFFFAOYSA-N
XLogP2.29
TPSA94.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)-2-(2-hydroxyethoxy)benzamide?
The IUPAC name of N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)-2-(2-hydroxyethoxy)benzamide (CID 127044825) is N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)-2-(2-hydroxyethoxy)benzamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)-2-(2-hydroxyethoxy)benzamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)-2-(2-hydroxyethoxy)benzamide is CC(C)Oc1cc2c(cc1NC(=O)c1ccccc1OCCO)n(C)c(=O)n2C.
What is the InChIKey of N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)-2-(2-hydroxyethoxy)benzamide?
The InChIKey is FETKWRHEJYDIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5/c1-13(2)29-19-12-17-16(23(3)21(27)24(17)4)11-15(19)22-20(26)14-7-5-6-8-18(14)28-10-9-25/h5-8,11-13,25H,9-10H2,1-4H3,(H,22,26).
What are the key properties of N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)-2-(2-hydroxyethoxy)benzamide?
N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)-2-(2-hydroxyethoxy)benzamide has a molecular weight of 399.45 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)-2-(2-hydroxyethoxy)benzamide is sourced from PubChem (CID 127044825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).