1-[2-(dimethylamino)ethyl]-3-prop-1-en-2-ylbenzimidazol-2-one

C14H19N3O — CID 14897210

IUPAC1-[2-(dimethylamino)ethyl]-3-prop-1-en-2-ylbenzimidazol-2-one
SMILESC=C(C)n1c(=O)n(CCN(C)C)c2ccccc21
InChIInChI=1S/C14H19N3O/c1-11(2)17-13-8-6-5-7-12(13)16(14(17)18)10-9-15(3)4/h5-8H,1,9-10H2,2-4H3
InChIKeyRKDHPQLCXVLQOA-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.86
Rot. Bonds4

About 1-[2-(dimethylamino)ethyl]-3-prop-1-en-2-ylbenzimidazol-2-one

1-[2-(dimethylamino)ethyl]-3-prop-1-en-2-ylbenzimidazol-2-one (PubChem CID 14897210) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-prop-1-en-2-ylbenzimidazol-2-one.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-prop-1-en-2-ylbenzimidazol-2-one
PubChem CID14897210
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-[2-(dimethylamino)ethyl]-3-prop-1-en-2-ylbenzimidazol-2-one
SMILESC=C(C)n1c(=O)n(CCN(C)C)c2ccccc21
InChIInChI=1S/C14H19N3O/c1-11(2)17-13-8-6-5-7-12(13)16(14(17)18)10-9-15(3)4/h5-8H,1,9-10H2,2-4H3
InChIKeyRKDHPQLCXVLQOA-UHFFFAOYSA-N
XLogP1.86
TPSA30.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-prop-1-en-2-ylbenzimidazol-2-one?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-prop-1-en-2-ylbenzimidazol-2-one (CID 14897210) is 1-[2-(dimethylamino)ethyl]-3-prop-1-en-2-ylbenzimidazol-2-one.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-prop-1-en-2-ylbenzimidazol-2-one?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-prop-1-en-2-ylbenzimidazol-2-one is C=C(C)n1c(=O)n(CCN(C)C)c2ccccc21.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-prop-1-en-2-ylbenzimidazol-2-one?
The InChIKey is RKDHPQLCXVLQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11(2)17-13-8-6-5-7-12(13)16(14(17)18)10-9-15(3)4/h5-8H,1,9-10H2,2-4H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-prop-1-en-2-ylbenzimidazol-2-one?
1-[2-(dimethylamino)ethyl]-3-prop-1-en-2-ylbenzimidazol-2-one has a molecular weight of 245.33 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-prop-1-en-2-ylbenzimidazol-2-one is sourced from PubChem (CID 14897210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).