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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Related Compounds

1-butyl-3-prop-1-en-2-ylbenzimidazol-2-one
CID 12706858
1-[1,1,2,2,3,3-hexadeuterio-3-(2-oxo-3-prop-1-en-2-ylbenzimidazol-1-yl)propyl]-3-prop-1-en-2-ylbenzimidazol-2-one
CID 175665420
1-[3-(benzylamino)propyl]-3-prop-1-en-2-ylbenzimidazol-2-one
CID 102058706
1-[4-(2-aminophenyl)butyl]-3-prop-1-en-2-ylbenzimidazol-2-one
CID 21149589
tert-butyl N-[6-(2-oxo-3-prop-1-en-2-ylbenzimidazol-1-yl)hexyl]carbamate
CID 57066051
10-[2-(dimethylamino)ethyl]acridin-9-one
CID 3014731
1-butanoyl-3-prop-1-en-2-ylbenzimidazol-2-one
CID 45276977
1-[2-(dimethylamino)ethyl]quinolin-2-one
CID 45117450
1-[2-[4-(1-methylindol-6-yl)piperazin-1-yl]ethyl]-3-prop-1-en-2-ylbenzimidazol-2-one
CID 51038934
1-[2-[hydroxy(oxido)amino]phenyl]-3-prop-1-en-2-ylbenzimidazol-2-one
CID 163856766
N-(3-chloro-4-fluorophenyl)-N-[1-[2-(2-oxo-3-prop-1-en-2-ylbenzimidazol-1-yl)ethyl]piperidin-4-yl]propanamide
CID 10624746
N-[1-[2-(2-oxo-3-prop-1-en-2-ylbenzimidazol-1-yl)ethyl]piperidin-4-yl]-N-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]propanamide
CID 54335465

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).