5-methoxy-3-(oxan-2-ylmethyl)-1H-benzimidazol-2-one

C14H18N2O3 — CID 117208086

IUPAC5-methoxy-3-(oxan-2-ylmethyl)-1H-benzimidazol-2-one
SMILESCOc1ccc2[nH]c(=O)n(CC3CCCCO3)c2c1
InChIInChI=1S/C14H18N2O3/c1-18-10-5-6-12-13(8-10)16(14(17)15-12)9-11-4-2-3-7-19-11/h5-6,8,11H,2-4,7,9H2,1H3,(H,15,17)
InChIKeyCPEGCCYPLPXLQQ-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.91
Rot. Bonds3

About 5-methoxy-3-(oxan-2-ylmethyl)-1H-benzimidazol-2-one

5-methoxy-3-(oxan-2-ylmethyl)-1H-benzimidazol-2-one (PubChem CID 117208086) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 5-methoxy-3-(oxan-2-ylmethyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name5-methoxy-3-(oxan-2-ylmethyl)-1H-benzimidazol-2-one
PubChem CID117208086
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name5-methoxy-3-(oxan-2-ylmethyl)-1H-benzimidazol-2-one
SMILESCOc1ccc2[nH]c(=O)n(CC3CCCCO3)c2c1
InChIInChI=1S/C14H18N2O3/c1-18-10-5-6-12-13(8-10)16(14(17)15-12)9-11-4-2-3-7-19-11/h5-6,8,11H,2-4,7,9H2,1H3,(H,15,17)
InChIKeyCPEGCCYPLPXLQQ-UHFFFAOYSA-N
XLogP1.91
TPSA56.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-hydroxy-3-(oxan-2-ylmethyl)-1H-benzimidazol-2-one
CID 117208085
3-(oxan-2-ylmethyl)-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 82783976
6-fluoro-3-(oxolan-2-ylmethyl)-1H-benzimidazol-2-one
CID 110491161
7-(2-hydroxy-4-methoxyphenyl)-1-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 146048803
5-methoxy-3-piperidin-4-yl-1H-benzimidazol-2-one
CID 22928792
5-methoxy-3-[(2-methoxyphenyl)methyl]-1H-benzimidazol-2-one
CID 117208271
3-[(1,1-dioxothian-4-yl)methyl]-6-methoxy-1H-benzimidazol-2-one
CID 117207139
6,7-diethoxy-3-(oxolan-2-ylmethyl)-1H-quinazoline-2,4-dione
CID 4298608
6-methoxy-3-(pyrrolidin-3-ylmethyl)-1H-quinazoline-2,4-dione
CID 117262552
methyl 3-[[(2S)-oxetan-2-yl]methyl]-2-sulfanylidene-1H-benzimidazole-5-carboxylate
CID 156856886
3-(oxan-4-ylmethyl)-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 82784396
N-[(5-methoxy-1H-indol-2-yl)methyl]-2-[[(2R)-oxan-2-yl]methoxy]acetamide
CID 124753443

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-(oxan-2-ylmethyl)-1H-benzimidazol-2-one?
The IUPAC name of 5-methoxy-3-(oxan-2-ylmethyl)-1H-benzimidazol-2-one (CID 117208086) is 5-methoxy-3-(oxan-2-ylmethyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 5-methoxy-3-(oxan-2-ylmethyl)-1H-benzimidazol-2-one?
The canonical SMILES for 5-methoxy-3-(oxan-2-ylmethyl)-1H-benzimidazol-2-one is COc1ccc2[nH]c(=O)n(CC3CCCCO3)c2c1.
What is the InChIKey of 5-methoxy-3-(oxan-2-ylmethyl)-1H-benzimidazol-2-one?
The InChIKey is CPEGCCYPLPXLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-18-10-5-6-12-13(8-10)16(14(17)15-12)9-11-4-2-3-7-19-11/h5-6,8,11H,2-4,7,9H2,1H3,(H,15,17).
What are the key properties of 5-methoxy-3-(oxan-2-ylmethyl)-1H-benzimidazol-2-one?
5-methoxy-3-(oxan-2-ylmethyl)-1H-benzimidazol-2-one has a molecular weight of 262.31 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-(oxan-2-ylmethyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 117208086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).