4-methoxy-3-(oxan-4-ylmethyl)-1H-benzimidazol-2-one

C14H18N2O3 — CID 117208672

IUPAC4-methoxy-3-(oxan-4-ylmethyl)-1H-benzimidazol-2-one
SMILESCOc1cccc2[nH]c(=O)n(CC3CCOCC3)c12
InChIInChI=1S/C14H18N2O3/c1-18-12-4-2-3-11-13(12)16(14(17)15-11)9-10-5-7-19-8-6-10/h2-4,10H,5-9H2,1H3,(H,15,17)
InChIKeyWLWZGHGPARLMDN-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.76
Rot. Bonds3

About 4-methoxy-3-(oxan-4-ylmethyl)-1H-benzimidazol-2-one

4-methoxy-3-(oxan-4-ylmethyl)-1H-benzimidazol-2-one (PubChem CID 117208672) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-methoxy-3-(oxan-4-ylmethyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name4-methoxy-3-(oxan-4-ylmethyl)-1H-benzimidazol-2-one
PubChem CID117208672
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name4-methoxy-3-(oxan-4-ylmethyl)-1H-benzimidazol-2-one
SMILESCOc1cccc2[nH]c(=O)n(CC3CCOCC3)c12
InChIInChI=1S/C14H18N2O3/c1-18-12-4-2-3-11-13(12)16(14(17)15-11)9-10-5-7-19-8-6-10/h2-4,10H,5-9H2,1H3,(H,15,17)
InChIKeyWLWZGHGPARLMDN-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one
CID 117208684
3-ethyl-4-methoxy-1H-benzimidazol-2-one
CID 117209129
7-methoxy-3-(oxan-3-ylmethyl)-1H-benzimidazol-2-one
CID 117206556
3-[(4-chlorophenyl)methyl]-4-methoxy-1H-benzimidazol-2-one
CID 117209103
3-cyclobutyl-4-methoxy-1H-benzimidazol-2-one
CID 117209284
4-methyl-3-[(1-methylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one
CID 117208652
4-hydroxy-3-[(1-methylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one
CID 117208678
3-(oxolan-3-ylmethyl)-1H-benzimidazol-2-one
CID 117206200
7-fluoro-3-(oxan-4-ylmethyl)-1H-benzimidazol-2-one
CID 117206256
3-[[(3R)-oxolan-3-yl]methyl]-1H-quinazoline-2,4-dione
CID 94025623
4-bromo-3-[(1-methylpyrrolidin-3-yl)methyl]-1H-benzimidazol-2-one
CID 117208626
3-(cyclopropylmethyl)-1H-benzimidazol-2-one
CID 57436030

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(oxan-4-ylmethyl)-1H-benzimidazol-2-one?
The IUPAC name of 4-methoxy-3-(oxan-4-ylmethyl)-1H-benzimidazol-2-one (CID 117208672) is 4-methoxy-3-(oxan-4-ylmethyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 4-methoxy-3-(oxan-4-ylmethyl)-1H-benzimidazol-2-one?
The canonical SMILES for 4-methoxy-3-(oxan-4-ylmethyl)-1H-benzimidazol-2-one is COc1cccc2[nH]c(=O)n(CC3CCOCC3)c12.
What is the InChIKey of 4-methoxy-3-(oxan-4-ylmethyl)-1H-benzimidazol-2-one?
The InChIKey is WLWZGHGPARLMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-18-12-4-2-3-11-13(12)16(14(17)15-11)9-10-5-7-19-8-6-10/h2-4,10H,5-9H2,1H3,(H,15,17).
What are the key properties of 4-methoxy-3-(oxan-4-ylmethyl)-1H-benzimidazol-2-one?
4-methoxy-3-(oxan-4-ylmethyl)-1H-benzimidazol-2-one has a molecular weight of 262.31 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(oxan-4-ylmethyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 117208672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).