2-(1H-indol-3-yl)-5,6-dimethoxy-1H-benzimidazole

C17H15N3O2 — CID 136822308

IUPAC2-(1H-indol-3-yl)-5,6-dimethoxy-1H-benzimidazole
SMILESCOc1cc2nc(-c3c[nH]c4ccccc34)[nH]c2cc1OC
InChIInChI=1S/C17H15N3O2/c1-21-15-7-13-14(8-16(15)22-2)20-17(19-13)11-9-18-12-6-4-3-5-10(11)12/h3-9,18H,1-2H3,(H,19,20)
InChIKeyYDTVTUNFXXLANU-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.73
Rot. Bonds3

About 2-(1H-indol-3-yl)-5,6-dimethoxy-1H-benzimidazole

2-(1H-indol-3-yl)-5,6-dimethoxy-1H-benzimidazole (PubChem CID 136822308) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-5,6-dimethoxy-1H-benzimidazole.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-5,6-dimethoxy-1H-benzimidazole
PubChem CID136822308
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name2-(1H-indol-3-yl)-5,6-dimethoxy-1H-benzimidazole
SMILESCOc1cc2nc(-c3c[nH]c4ccccc34)[nH]c2cc1OC
InChIInChI=1S/C17H15N3O2/c1-21-15-7-13-14(8-16(15)22-2)20-17(19-13)11-9-18-12-6-4-3-5-10(11)12/h3-9,18H,1-2H3,(H,19,20)
InChIKeyYDTVTUNFXXLANU-UHFFFAOYSA-N
XLogP3.73
TPSA62.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-indol-3-yl)-1H-benzimidazole;hydroiodide
CID 146120911
3-[4-(4-methoxy-3-methylphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole
CID 71103113
5,6-dimethoxy-2-(2-methoxy-3-pyridinyl)-1H-benzimidazole
CID 62874984
2-(2-bromo-3,4-dimethoxyphenyl)-5,6-dimethoxy-1H-benzimidazole
CID 110532927
2-[4-(5,6-dimethoxy-1H-benzimidazol-2-yl)phenyl]-5,6-dimethyl-1H-benzimidazole
CID 153404282
2-(2,5-dichlorophenyl)-5,6-dimethoxy-1H-benzimidazole
CID 63399348
2-(2-chlorofuran-3-yl)-5,6-dimethoxy-1H-benzimidazole
CID 106688276
2-(5,6-dimethoxy-1H-benzimidazol-2-yl)-5-fluoroaniline
CID 61364901
[2-(1H-indol-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 53379371
2-(2,5-dimethylfuran-3-yl)-5,6-dimethoxy-1H-benzimidazole
CID 61365501
2-[2-(3,4-dimethoxyphenyl)phenyl]-1H-benzimidazole
CID 168554009
5-(5,6-dimethoxy-1H-benzimidazol-2-yl)benzene-1,3-diamine
CID 107811507

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-5,6-dimethoxy-1H-benzimidazole?
The IUPAC name of 2-(1H-indol-3-yl)-5,6-dimethoxy-1H-benzimidazole (CID 136822308) is 2-(1H-indol-3-yl)-5,6-dimethoxy-1H-benzimidazole.
What is the SMILES notation for 2-(1H-indol-3-yl)-5,6-dimethoxy-1H-benzimidazole?
The canonical SMILES for 2-(1H-indol-3-yl)-5,6-dimethoxy-1H-benzimidazole is COc1cc2nc(-c3c[nH]c4ccccc34)[nH]c2cc1OC.
What is the InChIKey of 2-(1H-indol-3-yl)-5,6-dimethoxy-1H-benzimidazole?
The InChIKey is YDTVTUNFXXLANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-21-15-7-13-14(8-16(15)22-2)20-17(19-13)11-9-18-12-6-4-3-5-10(11)12/h3-9,18H,1-2H3,(H,19,20).
What are the key properties of 2-(1H-indol-3-yl)-5,6-dimethoxy-1H-benzimidazole?
2-(1H-indol-3-yl)-5,6-dimethoxy-1H-benzimidazole has a molecular weight of 293.33 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-5,6-dimethoxy-1H-benzimidazole is sourced from PubChem (CID 136822308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).