4-methoxy-1,3-dimethylbenzimidazol-2-one;oxolane

C14H20N2O3 — CID 143665951

IUPAC4-methoxy-1,3-dimethylbenzimidazol-2-one;oxolane
SMILESC1CCOC1.COc1cccc2c1n(C)c(=O)n2C
InChIInChI=1S/C10H12N2O2.C4H8O/c1-11-7-5-4-6-8(14-3)9(7)12(2)10(11)13;1-2-4-5-3-1/h4-6H,1-3H3;1-4H2
InChIKeyNVHXFYMFSMHPAL-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.68
Rot. Bonds1

About 4-methoxy-1,3-dimethylbenzimidazol-2-one;oxolane

4-methoxy-1,3-dimethylbenzimidazol-2-one;oxolane (PubChem CID 143665951) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-methoxy-1,3-dimethylbenzimidazol-2-one;oxolane.

Molecular Properties

Compound Name4-methoxy-1,3-dimethylbenzimidazol-2-one;oxolane
PubChem CID143665951
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name4-methoxy-1,3-dimethylbenzimidazol-2-one;oxolane
SMILESC1CCOC1.COc1cccc2c1n(C)c(=O)n2C
InChIInChI=1S/C10H12N2O2.C4H8O/c1-11-7-5-4-6-8(14-3)9(7)12(2)10(11)13;1-2-4-5-3-1/h4-6H,1-3H3;1-4H2
InChIKeyNVHXFYMFSMHPAL-UHFFFAOYSA-N
XLogP1.68
TPSA45.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-dimethyl-4-phenylmethoxybenzimidazol-2-one
CID 70827960
8-methoxy-1-methylquinolin-2-one
CID 742791
3-(aminomethyl)-5-methoxy-1-methylquinazoline-2,4-dione
CID 117262276
1-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylbenzimidazol-2-one
CID 24609427
methyl 2-(1,3-dimethyl-2-oxobenzimidazol-4-yl)-2-hydroxyacetate
CID 117378565
1-(2-methoxy-6-methylphenyl)-3,4-dimethylimidazol-2-one
CID 102207415
7-methoxy-3-(oxan-4-yl)-1H-benzimidazol-2-one
CID 117206184
3-(8-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)propanoic acid
CID 117263418
5-methoxy-9-methyl-2H-pyrido[3,4-b]indol-1-one
CID 115036593
3-(azepan-3-yl)-5-methoxy-1-methylquinazoline-2,4-dione
CID 117262138
8-methoxy-1-methyl-3-piperidin-3-ylquinazoline-2,4-dione
CID 117263164
5-methoxy-1-methyl-3-(2-methylphenyl)quinazoline-2,4-dione
CID 132821169

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1,3-dimethylbenzimidazol-2-one;oxolane?
The IUPAC name of 4-methoxy-1,3-dimethylbenzimidazol-2-one;oxolane (CID 143665951) is 4-methoxy-1,3-dimethylbenzimidazol-2-one;oxolane.
What is the SMILES notation for 4-methoxy-1,3-dimethylbenzimidazol-2-one;oxolane?
The canonical SMILES for 4-methoxy-1,3-dimethylbenzimidazol-2-one;oxolane is C1CCOC1.COc1cccc2c1n(C)c(=O)n2C.
What is the InChIKey of 4-methoxy-1,3-dimethylbenzimidazol-2-one;oxolane?
The InChIKey is NVHXFYMFSMHPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2.C4H8O/c1-11-7-5-4-6-8(14-3)9(7)12(2)10(11)13;1-2-4-5-3-1/h4-6H,1-3H3;1-4H2.
What are the key properties of 4-methoxy-1,3-dimethylbenzimidazol-2-one;oxolane?
4-methoxy-1,3-dimethylbenzimidazol-2-one;oxolane has a molecular weight of 264.32 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1,3-dimethylbenzimidazol-2-one;oxolane is sourced from PubChem (CID 143665951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).