1,3-dimethyl-5-[3-(2-methylpropoxy)phenoxy]benzimidazol-2-one

C19H22N2O3 — CID 127031786

IUPAC1,3-dimethyl-5-[3-(2-methylpropoxy)phenoxy]benzimidazol-2-one
SMILESCC(C)COc1cccc(Oc2ccc3c(c2)n(C)c(=O)n3C)c1
InChIInChI=1S/C19H22N2O3/c1-13(2)12-23-14-6-5-7-15(10-14)24-16-8-9-17-18(11-16)21(4)19(22)20(17)3/h5-11,13H,12H2,1-4H3
InChIKeyVHGMYVXHAMPJTO-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.70
Rot. Bonds5

About 1,3-dimethyl-5-[3-(2-methylpropoxy)phenoxy]benzimidazol-2-one

1,3-dimethyl-5-[3-(2-methylpropoxy)phenoxy]benzimidazol-2-one (PubChem CID 127031786) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1,3-dimethyl-5-[3-(2-methylpropoxy)phenoxy]benzimidazol-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-[3-(2-methylpropoxy)phenoxy]benzimidazol-2-one
PubChem CID127031786
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name1,3-dimethyl-5-[3-(2-methylpropoxy)phenoxy]benzimidazol-2-one
SMILESCC(C)COc1cccc(Oc2ccc3c(c2)n(C)c(=O)n3C)c1
InChIInChI=1S/C19H22N2O3/c1-13(2)12-23-14-6-5-7-15(10-14)24-16-8-9-17-18(11-16)21(4)19(22)20(17)3/h5-11,13H,12H2,1-4H3
InChIKeyVHGMYVXHAMPJTO-UHFFFAOYSA-N
XLogP3.70
TPSA45.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[3-(2-methylpropoxy)phenoxy]benzimidazol-2-one?
The IUPAC name of 1,3-dimethyl-5-[3-(2-methylpropoxy)phenoxy]benzimidazol-2-one (CID 127031786) is 1,3-dimethyl-5-[3-(2-methylpropoxy)phenoxy]benzimidazol-2-one.
What is the SMILES notation for 1,3-dimethyl-5-[3-(2-methylpropoxy)phenoxy]benzimidazol-2-one?
The canonical SMILES for 1,3-dimethyl-5-[3-(2-methylpropoxy)phenoxy]benzimidazol-2-one is CC(C)COc1cccc(Oc2ccc3c(c2)n(C)c(=O)n3C)c1.
What is the InChIKey of 1,3-dimethyl-5-[3-(2-methylpropoxy)phenoxy]benzimidazol-2-one?
The InChIKey is VHGMYVXHAMPJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-13(2)12-23-14-6-5-7-15(10-14)24-16-8-9-17-18(11-16)21(4)19(22)20(17)3/h5-11,13H,12H2,1-4H3.
What are the key properties of 1,3-dimethyl-5-[3-(2-methylpropoxy)phenoxy]benzimidazol-2-one?
1,3-dimethyl-5-[3-(2-methylpropoxy)phenoxy]benzimidazol-2-one has a molecular weight of 326.40 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[3-(2-methylpropoxy)phenoxy]benzimidazol-2-one is sourced from PubChem (CID 127031786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).