methyl N-[6-(2,4-dihydroxybenzoyl)-1H-benzimidazol-2-yl]carbamate

C16H13N3O5 — CID 118728666

IUPACmethyl N-[6-(2,4-dihydroxybenzoyl)-1H-benzimidazol-2-yl]carbamate
SMILESCOC(=O)Nc1nc2ccc(C(=O)c3ccc(O)cc3O)cc2[nH]1
InChIInChI=1S/C16H13N3O5/c1-24-16(23)19-15-17-11-5-2-8(6-12(11)18-15)14(22)10-4-3-9(20)7-13(10)21/h2-7,20-21H,1H3,(H2,17,18,19,23)
InChIKeyITGVFHVUPICVMK-UHFFFAOYSA-N
MW327.30 g/mol
LogP2.38
Rot. Bonds3

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

methyl N-[6-(2,4-dihydroxybenzoyl)-1H-benzimidazol-2-yl]carbamate (PubChem CID 118728666) has the molecular formula C16H13N3O5 and a molecular weight of 327.30 g/mol. Its IUPAC name is methyl N-[6-(2,4-dihydroxybenzoyl)-1H-benzimidazol-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[6-(2,4-dihydroxybenzoyl)-1H-benzimidazol-2-yl]carbamate
PubChem CID118728666
Molecular FormulaC16H13N3O5
Molecular Weight327.30 g/mol
Exact Mass327.09
IUPAC Namemethyl N-[6-(2,4-dihydroxybenzoyl)-1H-benzimidazol-2-yl]carbamate
SMILESCOC(=O)Nc1nc2ccc(C(=O)c3ccc(O)cc3O)cc2[nH]1
InChIInChI=1S/C16H13N3O5/c1-24-16(23)19-15-17-11-5-2-8(6-12(11)18-15)14(22)10-4-3-9(20)7-13(10)21/h2-7,20-21H,1H3,(H2,17,18,19,23)
InChIKeyITGVFHVUPICVMK-UHFFFAOYSA-N
XLogP2.38
TPSA124.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.30
LogP ≤ 52.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl N-[6-(2,4-dihydroxybenzoyl)-1H-benzimidazol-2-yl]carbamate?
The IUPAC name of methyl N-[6-(2,4-dihydroxybenzoyl)-1H-benzimidazol-2-yl]carbamate (CID 118728666) is methyl N-[6-(2,4-dihydroxybenzoyl)-1H-benzimidazol-2-yl]carbamate.
What is the SMILES notation for methyl N-[6-(2,4-dihydroxybenzoyl)-1H-benzimidazol-2-yl]carbamate?
The canonical SMILES for methyl N-[6-(2,4-dihydroxybenzoyl)-1H-benzimidazol-2-yl]carbamate is COC(=O)Nc1nc2ccc(C(=O)c3ccc(O)cc3O)cc2[nH]1.
What is the InChIKey of methyl N-[6-(2,4-dihydroxybenzoyl)-1H-benzimidazol-2-yl]carbamate?
The InChIKey is ITGVFHVUPICVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O5/c1-24-16(23)19-15-17-11-5-2-8(6-12(11)18-15)14(22)10-4-3-9(20)7-13(10)21/h2-7,20-21H,1H3,(H2,17,18,19,23).
What are the key properties of methyl N-[6-(2,4-dihydroxybenzoyl)-1H-benzimidazol-2-yl]carbamate?
methyl N-[6-(2,4-dihydroxybenzoyl)-1H-benzimidazol-2-yl]carbamate has a molecular weight of 327.30 g/mol, XLogP of 2.38, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[6-(2,4-dihydroxybenzoyl)-1H-benzimidazol-2-yl]carbamate is sourced from PubChem (CID 118728666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).