5-[1-(3,4-dimethoxy-5-methylanilino)ethenylamino]-1,3-dihydrobenzimidazol-2-one

C18H20N4O3 — CID 155114034

IUPAC5-[1-(3,4-dimethoxy-5-methylanilino)ethenylamino]-1,3-dihydrobenzimidazol-2-one
SMILESC=C(Nc1cc(C)c(OC)c(OC)c1)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C18H20N4O3/c1-10-7-13(9-16(24-3)17(10)25-4)20-11(2)19-12-5-6-14-15(8-12)22-18(23)21-14/h5-9,19-20H,2H2,1,3-4H3,(H2,21,22,23)
InChIKeyVGGSYUYNDCIYHE-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.18
Rot. Bonds6

About 5-[1-(3,4-dimethoxy-5-methylanilino)ethenylamino]-1,3-dihydrobenzimidazol-2-one

5-[1-(3,4-dimethoxy-5-methylanilino)ethenylamino]-1,3-dihydrobenzimidazol-2-one (PubChem CID 155114034) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 5-[1-(3,4-dimethoxy-5-methylanilino)ethenylamino]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[1-(3,4-dimethoxy-5-methylanilino)ethenylamino]-1,3-dihydrobenzimidazol-2-one
PubChem CID155114034
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name5-[1-(3,4-dimethoxy-5-methylanilino)ethenylamino]-1,3-dihydrobenzimidazol-2-one
SMILESC=C(Nc1cc(C)c(OC)c(OC)c1)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C18H20N4O3/c1-10-7-13(9-16(24-3)17(10)25-4)20-11(2)19-12-5-6-14-15(8-12)22-18(23)21-14/h5-9,19-20H,2H2,1,3-4H3,(H2,21,22,23)
InChIKeyVGGSYUYNDCIYHE-UHFFFAOYSA-N
XLogP3.18
TPSA91.17 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(3,4-dimethoxy-5-methylanilino)ethenylamino]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[1-(3,4-dimethoxy-5-methylanilino)ethenylamino]-1,3-dihydrobenzimidazol-2-one (CID 155114034) is 5-[1-(3,4-dimethoxy-5-methylanilino)ethenylamino]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[1-(3,4-dimethoxy-5-methylanilino)ethenylamino]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[1-(3,4-dimethoxy-5-methylanilino)ethenylamino]-1,3-dihydrobenzimidazol-2-one is C=C(Nc1cc(C)c(OC)c(OC)c1)Nc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-[1-(3,4-dimethoxy-5-methylanilino)ethenylamino]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is VGGSYUYNDCIYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-10-7-13(9-16(24-3)17(10)25-4)20-11(2)19-12-5-6-14-15(8-12)22-18(23)21-14/h5-9,19-20H,2H2,1,3-4H3,(H2,21,22,23).
What are the key properties of 5-[1-(3,4-dimethoxy-5-methylanilino)ethenylamino]-1,3-dihydrobenzimidazol-2-one?
5-[1-(3,4-dimethoxy-5-methylanilino)ethenylamino]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 340.38 g/mol, XLogP of 3.18, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3,4-dimethoxy-5-methylanilino)ethenylamino]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 155114034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).