methyl 3-(6-methoxy-1H-benzimidazol-2-yl)-1H-indole-6-carboxylate

C18H15N3O3 — CID 44528858

IUPACmethyl 3-(6-methoxy-1H-benzimidazol-2-yl)-1H-indole-6-carboxylate
SMILESCOC(=O)c1ccc2c(-c3nc4ccc(OC)cc4[nH]3)c[nH]c2c1
InChIInChI=1S/C18H15N3O3/c1-23-11-4-6-14-16(8-11)21-17(20-14)13-9-19-15-7-10(18(22)24-2)3-5-12(13)15/h3-9,19H,1-2H3,(H,20,21)
InChIKeyIPIRFOLYRFANDD-UHFFFAOYSA-N
MW321.34 g/mol
LogP3.51
Rot. Bonds3

About methyl 3-(6-methoxy-1H-benzimidazol-2-yl)-1H-indole-6-carboxylate

methyl 3-(6-methoxy-1H-benzimidazol-2-yl)-1H-indole-6-carboxylate (PubChem CID 44528858) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is methyl 3-(6-methoxy-1H-benzimidazol-2-yl)-1H-indole-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-(6-methoxy-1H-benzimidazol-2-yl)-1H-indole-6-carboxylate
PubChem CID44528858
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Namemethyl 3-(6-methoxy-1H-benzimidazol-2-yl)-1H-indole-6-carboxylate
SMILESCOC(=O)c1ccc2c(-c3nc4ccc(OC)cc4[nH]3)c[nH]c2c1
InChIInChI=1S/C18H15N3O3/c1-23-11-4-6-14-16(8-11)21-17(20-14)13-9-19-15-7-10(18(22)24-2)3-5-12(13)15/h3-9,19H,1-2H3,(H,20,21)
InChIKeyIPIRFOLYRFANDD-UHFFFAOYSA-N
XLogP3.51
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(6-methoxy-1H-benzimidazol-2-yl)-1H-indole-6-carboxylate?
The IUPAC name of methyl 3-(6-methoxy-1H-benzimidazol-2-yl)-1H-indole-6-carboxylate (CID 44528858) is methyl 3-(6-methoxy-1H-benzimidazol-2-yl)-1H-indole-6-carboxylate.
What is the SMILES notation for methyl 3-(6-methoxy-1H-benzimidazol-2-yl)-1H-indole-6-carboxylate?
The canonical SMILES for methyl 3-(6-methoxy-1H-benzimidazol-2-yl)-1H-indole-6-carboxylate is COC(=O)c1ccc2c(-c3nc4ccc(OC)cc4[nH]3)c[nH]c2c1.
What is the InChIKey of methyl 3-(6-methoxy-1H-benzimidazol-2-yl)-1H-indole-6-carboxylate?
The InChIKey is IPIRFOLYRFANDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-23-11-4-6-14-16(8-11)21-17(20-14)13-9-19-15-7-10(18(22)24-2)3-5-12(13)15/h3-9,19H,1-2H3,(H,20,21).
What are the key properties of methyl 3-(6-methoxy-1H-benzimidazol-2-yl)-1H-indole-6-carboxylate?
methyl 3-(6-methoxy-1H-benzimidazol-2-yl)-1H-indole-6-carboxylate has a molecular weight of 321.34 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(6-methoxy-1H-benzimidazol-2-yl)-1H-indole-6-carboxylate is sourced from PubChem (CID 44528858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).