N-[3-(2-hydroxyethyl)-1-methyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl]-2-methoxybenzamide

C21H25N3O5 — CID 127044045

IUPACN-[3-(2-hydroxyethyl)-1-methyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1cc2c(cc1OC(C)C)n(C)c(=O)n2CCO
InChIInChI=1S/C21H25N3O5/c1-13(2)29-19-12-16-17(24(9-10-25)21(27)23(16)3)11-15(19)22-20(26)14-7-5-6-8-18(14)28-4/h5-8,11-13,25H,9-10H2,1-4H3,(H,22,26)
InChIKeyLSKUNOBMOIMAIP-UHFFFAOYSA-N
MW399.45 g/mol
LogP2.38
Rot. Bonds7

About N-[3-(2-hydroxyethyl)-1-methyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl]-2-methoxybenzamide

N-[3-(2-hydroxyethyl)-1-methyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl]-2-methoxybenzamide (PubChem CID 127044045) has the molecular formula C21H25N3O5 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-[3-(2-hydroxyethyl)-1-methyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[3-(2-hydroxyethyl)-1-methyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl]-2-methoxybenzamide
PubChem CID127044045
Molecular FormulaC21H25N3O5
Molecular Weight399.45 g/mol
Exact Mass399.18
IUPAC NameN-[3-(2-hydroxyethyl)-1-methyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1cc2c(cc1OC(C)C)n(C)c(=O)n2CCO
InChIInChI=1S/C21H25N3O5/c1-13(2)29-19-12-16-17(24(9-10-25)21(27)23(16)3)11-15(19)22-20(26)14-7-5-6-8-18(14)28-4/h5-8,11-13,25H,9-10H2,1-4H3,(H,22,26)
InChIKeyLSKUNOBMOIMAIP-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-hydroxyethyl)-1-methyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl]-2-methoxybenzamide?
The IUPAC name of N-[3-(2-hydroxyethyl)-1-methyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl]-2-methoxybenzamide (CID 127044045) is N-[3-(2-hydroxyethyl)-1-methyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[3-(2-hydroxyethyl)-1-methyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl]-2-methoxybenzamide?
The canonical SMILES for N-[3-(2-hydroxyethyl)-1-methyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1cc2c(cc1OC(C)C)n(C)c(=O)n2CCO.
What is the InChIKey of N-[3-(2-hydroxyethyl)-1-methyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl]-2-methoxybenzamide?
The InChIKey is LSKUNOBMOIMAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5/c1-13(2)29-19-12-16-17(24(9-10-25)21(27)23(16)3)11-15(19)22-20(26)14-7-5-6-8-18(14)28-4/h5-8,11-13,25H,9-10H2,1-4H3,(H,22,26).
What are the key properties of N-[3-(2-hydroxyethyl)-1-methyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl]-2-methoxybenzamide?
N-[3-(2-hydroxyethyl)-1-methyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl]-2-methoxybenzamide has a molecular weight of 399.45 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-hydroxyethyl)-1-methyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl]-2-methoxybenzamide is sourced from PubChem (CID 127044045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).