5-methoxy-3-[(2-methoxyphenyl)methyl]-1H-benzimidazol-2-one

C16H16N2O3 — CID 117208271

IUPAC5-methoxy-3-[(2-methoxyphenyl)methyl]-1H-benzimidazol-2-one
SMILESCOc1ccc2[nH]c(=O)n(Cc3ccccc3OC)c2c1
InChIInChI=1S/C16H16N2O3/c1-20-12-7-8-13-14(9-12)18(16(19)17-13)10-11-5-3-4-6-15(11)21-2/h3-9H,10H2,1-2H3,(H,17,19)
InChIKeyRJGZSNYPRYNAQA-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.40
Rot. Bonds4

About 5-methoxy-3-[(2-methoxyphenyl)methyl]-1H-benzimidazol-2-one

5-methoxy-3-[(2-methoxyphenyl)methyl]-1H-benzimidazol-2-one (PubChem CID 117208271) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 5-methoxy-3-[(2-methoxyphenyl)methyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name5-methoxy-3-[(2-methoxyphenyl)methyl]-1H-benzimidazol-2-one
PubChem CID117208271
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name5-methoxy-3-[(2-methoxyphenyl)methyl]-1H-benzimidazol-2-one
SMILESCOc1ccc2[nH]c(=O)n(Cc3ccccc3OC)c2c1
InChIInChI=1S/C16H16N2O3/c1-20-12-7-8-13-14(9-12)18(16(19)17-13)10-11-5-3-4-6-15(11)21-2/h3-9H,10H2,1-2H3,(H,17,19)
InChIKeyRJGZSNYPRYNAQA-UHFFFAOYSA-N
XLogP2.40
TPSA56.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,4-dimethoxyphenyl)methyl]-1H-quinazoline-2,4-dione
CID 56771696
4-[(2-methoxyphenyl)methyl]-1H-quinoxaline-2,3-dione
CID 19980277
5-fluoro-3-[(2-methoxyphenyl)methyl]-1H-benzimidazole-2-thione
CID 62378537
3-[(2-hydroxyphenyl)methyl]-5-methyl-1H-benzimidazol-2-one
CID 117208246
6-methoxy-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-2-one
CID 18467672
5-chloro-3-[(2-hydroxyphenyl)methyl]-1H-benzimidazol-2-one
CID 117208257
3-[(3-hydroxyphenyl)methyl]-6-methoxy-1H-benzimidazol-2-one
CID 117207490
N-(2,4-dimethoxyphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195265
3-[(2,4-dimethoxyphenyl)methyl]-7-(hydroxymethyl)-1H-quinazoline-2,4-dione
CID 170981715
5-methoxy-3-(oxan-2-ylmethyl)-1H-benzimidazol-2-one
CID 117208086
3-[(4-chlorophenyl)methyl]-6-methoxy-1H-benzimidazol-2-one
CID 117207544
6-fluoro-3-[(3-methoxyphenyl)methyl]-1H-benzimidazol-2-one
CID 117207476

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-[(2-methoxyphenyl)methyl]-1H-benzimidazol-2-one?
The IUPAC name of 5-methoxy-3-[(2-methoxyphenyl)methyl]-1H-benzimidazol-2-one (CID 117208271) is 5-methoxy-3-[(2-methoxyphenyl)methyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 5-methoxy-3-[(2-methoxyphenyl)methyl]-1H-benzimidazol-2-one?
The canonical SMILES for 5-methoxy-3-[(2-methoxyphenyl)methyl]-1H-benzimidazol-2-one is COc1ccc2[nH]c(=O)n(Cc3ccccc3OC)c2c1.
What is the InChIKey of 5-methoxy-3-[(2-methoxyphenyl)methyl]-1H-benzimidazol-2-one?
The InChIKey is RJGZSNYPRYNAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-20-12-7-8-13-14(9-12)18(16(19)17-13)10-11-5-3-4-6-15(11)21-2/h3-9H,10H2,1-2H3,(H,17,19).
What are the key properties of 5-methoxy-3-[(2-methoxyphenyl)methyl]-1H-benzimidazol-2-one?
5-methoxy-3-[(2-methoxyphenyl)methyl]-1H-benzimidazol-2-one has a molecular weight of 284.32 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-[(2-methoxyphenyl)methyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 117208271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).