1-[2-(methoxymethyl)-1,3-dioxolan-4-yl]-4,6-dimethylbenzimidazole

C14H18N2O3 — CID 58521325

IUPAC1-[2-(methoxymethyl)-1,3-dioxolan-4-yl]-4,6-dimethylbenzimidazole
SMILESCOCC1OCC(n2cnc3c(C)cc(C)cc32)O1
InChIInChI=1S/C14H18N2O3/c1-9-4-10(2)14-11(5-9)16(8-15-14)12-6-18-13(19-12)7-17-3/h4-5,8,12-13H,6-7H2,1-3H3
InChIKeyLXMJIDLDVVRHCP-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.17
Rot. Bonds3

About 1-[2-(methoxymethyl)-1,3-dioxolan-4-yl]-4,6-dimethylbenzimidazole

1-[2-(methoxymethyl)-1,3-dioxolan-4-yl]-4,6-dimethylbenzimidazole (PubChem CID 58521325) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-[2-(methoxymethyl)-1,3-dioxolan-4-yl]-4,6-dimethylbenzimidazole.

Molecular Properties

Compound Name1-[2-(methoxymethyl)-1,3-dioxolan-4-yl]-4,6-dimethylbenzimidazole
PubChem CID58521325
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-[2-(methoxymethyl)-1,3-dioxolan-4-yl]-4,6-dimethylbenzimidazole
SMILESCOCC1OCC(n2cnc3c(C)cc(C)cc32)O1
InChIInChI=1S/C14H18N2O3/c1-9-4-10(2)14-11(5-9)16(8-15-14)12-6-18-13(19-12)7-17-3/h4-5,8,12-13H,6-7H2,1-3H3
InChIKeyLXMJIDLDVVRHCP-UHFFFAOYSA-N
XLogP2.17
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R,5R)-5-(4-fluoro-6-methylbenzimidazol-1-yl)-2-(methoxymethyl)oxolan-3-yl]oxy-methylphosphinic acid
CID 58427805
4-amino-1-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]-5H-imidazo[4,5-c]pyridin-6-one
CID 90890538
[(2S,4R)-4-(6-methoxypurin-9-yl)-1,3-dioxolan-2-yl]methanol
CID 10037827
[(2R)-4-(2,6-diaminopurin-9-yl)-1,3-dioxolan-2-yl]methyl acetate
CID 118700032
[(2R,5R)-2-(methoxymethyl)-5-(4-methylbenzimidazol-1-yl)oxolan-3-yl]oxy-methylphosphinic acid
CID 58427794
[4-(6-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol
CID 21145902
tert-butyl-[[4-(6-chloro-2-fluoropurin-9-yl)-1,3-dioxolan-2-yl]methoxy]-diphenylsilane
CID 54310455
9-[(2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-3H-purine-6-thione
CID 3000449
[(2S,4R)-4-(2-amino-6-chloropurin-9-yl)-1,3-dioxolan-2-yl]methyl benzoate
CID 10068086
[(2S,4S)-4-(2-amino-6-chloropurin-9-yl)-1,3-dioxolan-2-yl]methyl benzoate
CID 10022365
[4-(6-amino-2-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol
CID 21145907
6-chloro-9-[(2R,3S,4R,5R)-3,4-dideuterio-5-(methoxymethyl)oxolan-2-yl]purine
CID 150598800

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methoxymethyl)-1,3-dioxolan-4-yl]-4,6-dimethylbenzimidazole?
The IUPAC name of 1-[2-(methoxymethyl)-1,3-dioxolan-4-yl]-4,6-dimethylbenzimidazole (CID 58521325) is 1-[2-(methoxymethyl)-1,3-dioxolan-4-yl]-4,6-dimethylbenzimidazole.
What is the SMILES notation for 1-[2-(methoxymethyl)-1,3-dioxolan-4-yl]-4,6-dimethylbenzimidazole?
The canonical SMILES for 1-[2-(methoxymethyl)-1,3-dioxolan-4-yl]-4,6-dimethylbenzimidazole is COCC1OCC(n2cnc3c(C)cc(C)cc32)O1.
What is the InChIKey of 1-[2-(methoxymethyl)-1,3-dioxolan-4-yl]-4,6-dimethylbenzimidazole?
The InChIKey is LXMJIDLDVVRHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9-4-10(2)14-11(5-9)16(8-15-14)12-6-18-13(19-12)7-17-3/h4-5,8,12-13H,6-7H2,1-3H3.
What are the key properties of 1-[2-(methoxymethyl)-1,3-dioxolan-4-yl]-4,6-dimethylbenzimidazole?
1-[2-(methoxymethyl)-1,3-dioxolan-4-yl]-4,6-dimethylbenzimidazole has a molecular weight of 262.31 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methoxymethyl)-1,3-dioxolan-4-yl]-4,6-dimethylbenzimidazole is sourced from PubChem (CID 58521325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).