1-[4-ethenyl-3-(methylamino)phenyl]-3-methylbenzimidazol-2-one

C17H17N3O — CID 167056336

IUPAC1-[4-ethenyl-3-(methylamino)phenyl]-3-methylbenzimidazol-2-one
SMILESC=Cc1ccc(-n2c(=O)n(C)c3ccccc32)cc1NC
InChIInChI=1S/C17H17N3O/c1-4-12-9-10-13(11-14(12)18-2)20-16-8-6-5-7-15(16)19(3)17(20)21/h4-11,18H,1H2,2-3H3
InChIKeyKFLRTEQVMARYDB-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.01
Rot. Bonds3

About 1-[4-ethenyl-3-(methylamino)phenyl]-3-methylbenzimidazol-2-one

1-[4-ethenyl-3-(methylamino)phenyl]-3-methylbenzimidazol-2-one (PubChem CID 167056336) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-[4-ethenyl-3-(methylamino)phenyl]-3-methylbenzimidazol-2-one.

Molecular Properties

Compound Name1-[4-ethenyl-3-(methylamino)phenyl]-3-methylbenzimidazol-2-one
PubChem CID167056336
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name1-[4-ethenyl-3-(methylamino)phenyl]-3-methylbenzimidazol-2-one
SMILESC=Cc1ccc(-n2c(=O)n(C)c3ccccc32)cc1NC
InChIInChI=1S/C17H17N3O/c1-4-12-9-10-13(11-14(12)18-2)20-16-8-6-5-7-15(16)19(3)17(20)21/h4-11,18H,1H2,2-3H3
InChIKeyKFLRTEQVMARYDB-UHFFFAOYSA-N
XLogP3.01
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-ethenyl-3-(methylamino)phenyl]-3-methylbenzimidazol-2-one?
The IUPAC name of 1-[4-ethenyl-3-(methylamino)phenyl]-3-methylbenzimidazol-2-one (CID 167056336) is 1-[4-ethenyl-3-(methylamino)phenyl]-3-methylbenzimidazol-2-one.
What is the SMILES notation for 1-[4-ethenyl-3-(methylamino)phenyl]-3-methylbenzimidazol-2-one?
The canonical SMILES for 1-[4-ethenyl-3-(methylamino)phenyl]-3-methylbenzimidazol-2-one is C=Cc1ccc(-n2c(=O)n(C)c3ccccc32)cc1NC.
What is the InChIKey of 1-[4-ethenyl-3-(methylamino)phenyl]-3-methylbenzimidazol-2-one?
The InChIKey is KFLRTEQVMARYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-4-12-9-10-13(11-14(12)18-2)20-16-8-6-5-7-15(16)19(3)17(20)21/h4-11,18H,1H2,2-3H3.
What are the key properties of 1-[4-ethenyl-3-(methylamino)phenyl]-3-methylbenzimidazol-2-one?
1-[4-ethenyl-3-(methylamino)phenyl]-3-methylbenzimidazol-2-one has a molecular weight of 279.34 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethenyl-3-(methylamino)phenyl]-3-methylbenzimidazol-2-one is sourced from PubChem (CID 167056336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).