methyl N-[6-(2-hydroxy-4-methoxybenzoyl)-1H-benzimidazol-2-yl]carbamate

C17H15N3O5 — CID 118728665

IUPACmethyl N-[6-(2-hydroxy-4-methoxybenzoyl)-1H-benzimidazol-2-yl]carbamate
SMILESCOC(=O)Nc1nc2ccc(C(=O)c3ccc(OC)cc3O)cc2[nH]1
InChIInChI=1S/C17H15N3O5/c1-24-10-4-5-11(14(21)8-10)15(22)9-3-6-12-13(7-9)19-16(18-12)20-17(23)25-2/h3-8,21H,1-2H3,(H2,18,19,20,23)
InChIKeyQZYMSKASOFXBEI-UHFFFAOYSA-N
MW341.32 g/mol
LogP2.69
Rot. Bonds4

About methyl N-[6-(2-hydroxy-4-methoxybenzoyl)-1H-benzimidazol-2-yl]carbamate

methyl N-[6-(2-hydroxy-4-methoxybenzoyl)-1H-benzimidazol-2-yl]carbamate (PubChem CID 118728665) has the molecular formula C17H15N3O5 and a molecular weight of 341.32 g/mol. Its IUPAC name is methyl N-[6-(2-hydroxy-4-methoxybenzoyl)-1H-benzimidazol-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[6-(2-hydroxy-4-methoxybenzoyl)-1H-benzimidazol-2-yl]carbamate
PubChem CID118728665
Molecular FormulaC17H15N3O5
Molecular Weight341.32 g/mol
Exact Mass341.10
IUPAC Namemethyl N-[6-(2-hydroxy-4-methoxybenzoyl)-1H-benzimidazol-2-yl]carbamate
SMILESCOC(=O)Nc1nc2ccc(C(=O)c3ccc(OC)cc3O)cc2[nH]1
InChIInChI=1S/C17H15N3O5/c1-24-10-4-5-11(14(21)8-10)15(22)9-3-6-12-13(7-9)19-16(18-12)20-17(23)25-2/h3-8,21H,1-2H3,(H2,18,19,20,23)
InChIKeyQZYMSKASOFXBEI-UHFFFAOYSA-N
XLogP2.69
TPSA113.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl N-[6-(2-hydroxy-4-methoxybenzoyl)-1H-benzimidazol-2-yl]carbamate?
The IUPAC name of methyl N-[6-(2-hydroxy-4-methoxybenzoyl)-1H-benzimidazol-2-yl]carbamate (CID 118728665) is methyl N-[6-(2-hydroxy-4-methoxybenzoyl)-1H-benzimidazol-2-yl]carbamate.
What is the SMILES notation for methyl N-[6-(2-hydroxy-4-methoxybenzoyl)-1H-benzimidazol-2-yl]carbamate?
The canonical SMILES for methyl N-[6-(2-hydroxy-4-methoxybenzoyl)-1H-benzimidazol-2-yl]carbamate is COC(=O)Nc1nc2ccc(C(=O)c3ccc(OC)cc3O)cc2[nH]1.
What is the InChIKey of methyl N-[6-(2-hydroxy-4-methoxybenzoyl)-1H-benzimidazol-2-yl]carbamate?
The InChIKey is QZYMSKASOFXBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O5/c1-24-10-4-5-11(14(21)8-10)15(22)9-3-6-12-13(7-9)19-16(18-12)20-17(23)25-2/h3-8,21H,1-2H3,(H2,18,19,20,23).
What are the key properties of methyl N-[6-(2-hydroxy-4-methoxybenzoyl)-1H-benzimidazol-2-yl]carbamate?
methyl N-[6-(2-hydroxy-4-methoxybenzoyl)-1H-benzimidazol-2-yl]carbamate has a molecular weight of 341.32 g/mol, XLogP of 2.69, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[6-(2-hydroxy-4-methoxybenzoyl)-1H-benzimidazol-2-yl]carbamate is sourced from PubChem (CID 118728665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).