7-(6-methoxy-1H-benzimidazol-2-yl)-2,3-dihydroisoindol-1-one

C16H13N3O2 — CID 16666858

IUPAC7-(6-methoxy-1H-benzimidazol-2-yl)-2,3-dihydroisoindol-1-one
SMILESCOc1ccc2nc(-c3cccc4c3C(=O)NC4)[nH]c2c1
InChIInChI=1S/C16H13N3O2/c1-21-10-5-6-12-13(7-10)19-15(18-12)11-4-2-3-9-8-17-16(20)14(9)11/h2-7H,8H2,1H3,(H,17,20)(H,18,19)
InChIKeyNWJXSQTVATYZMG-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.48
Rot. Bonds2

About 7-(6-methoxy-1H-benzimidazol-2-yl)-2,3-dihydroisoindol-1-one

7-(6-methoxy-1H-benzimidazol-2-yl)-2,3-dihydroisoindol-1-one (PubChem CID 16666858) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 7-(6-methoxy-1H-benzimidazol-2-yl)-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name7-(6-methoxy-1H-benzimidazol-2-yl)-2,3-dihydroisoindol-1-one
PubChem CID16666858
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name7-(6-methoxy-1H-benzimidazol-2-yl)-2,3-dihydroisoindol-1-one
SMILESCOc1ccc2nc(-c3cccc4c3C(=O)NC4)[nH]c2c1
InChIInChI=1S/C16H13N3O2/c1-21-10-5-6-12-13(7-10)19-15(18-12)11-4-2-3-9-8-17-16(20)14(9)11/h2-7H,8H2,1H3,(H,17,20)(H,18,19)
InChIKeyNWJXSQTVATYZMG-UHFFFAOYSA-N
XLogP2.48
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 166635451
N-(1H-benzimidazol-2-ylmethyl)-3,4-dimethoxybenzamide
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methyl 2-isopropyl-5-((3-(5-methoxy-1H-benzo[d]imidazol-2-yl)propyl)(methyl)amino)-2-(4-methoxyphenyl)pentanoate
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1-[2,4-dimethyl-5-[6-(1-methylpiperidin-4-yl)oxy-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]ethanone
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Frequently Asked Questions

What is the IUPAC name of 7-(6-methoxy-1H-benzimidazol-2-yl)-2,3-dihydroisoindol-1-one?
The IUPAC name of 7-(6-methoxy-1H-benzimidazol-2-yl)-2,3-dihydroisoindol-1-one (CID 16666858) is 7-(6-methoxy-1H-benzimidazol-2-yl)-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 7-(6-methoxy-1H-benzimidazol-2-yl)-2,3-dihydroisoindol-1-one?
The canonical SMILES for 7-(6-methoxy-1H-benzimidazol-2-yl)-2,3-dihydroisoindol-1-one is COc1ccc2nc(-c3cccc4c3C(=O)NC4)[nH]c2c1.
What is the InChIKey of 7-(6-methoxy-1H-benzimidazol-2-yl)-2,3-dihydroisoindol-1-one?
The InChIKey is NWJXSQTVATYZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-21-10-5-6-12-13(7-10)19-15(18-12)11-4-2-3-9-8-17-16(20)14(9)11/h2-7H,8H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 7-(6-methoxy-1H-benzimidazol-2-yl)-2,3-dihydroisoindol-1-one?
7-(6-methoxy-1H-benzimidazol-2-yl)-2,3-dihydroisoindol-1-one has a molecular weight of 279.30 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-methoxy-1H-benzimidazol-2-yl)-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 16666858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).