1-(1-ethylbenzimidazol-2-yl)-3-(prop-2-enylamino)propan-2-one

C15H19N3O — CID 116589893

IUPAC1-(1-ethylbenzimidazol-2-yl)-3-(prop-2-enylamino)propan-2-one
SMILESC=CCNCC(=O)Cc1nc2ccccc2n1CC
InChIInChI=1S/C15H19N3O/c1-3-9-16-11-12(19)10-15-17-13-7-5-6-8-14(13)18(15)4-2/h3,5-8,16H,1,4,9-11H2,2H3
InChIKeyLUDDFZAUSCOXPV-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.94
Rot. Bonds7

About 1-(1-ethylbenzimidazol-2-yl)-3-(prop-2-enylamino)propan-2-one

1-(1-ethylbenzimidazol-2-yl)-3-(prop-2-enylamino)propan-2-one (PubChem CID 116589893) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-(1-ethylbenzimidazol-2-yl)-3-(prop-2-enylamino)propan-2-one.

Molecular Properties

Compound Name1-(1-ethylbenzimidazol-2-yl)-3-(prop-2-enylamino)propan-2-one
PubChem CID116589893
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-(1-ethylbenzimidazol-2-yl)-3-(prop-2-enylamino)propan-2-one
SMILESC=CCNCC(=O)Cc1nc2ccccc2n1CC
InChIInChI=1S/C15H19N3O/c1-3-9-16-11-12(19)10-15-17-13-7-5-6-8-14(13)18(15)4-2/h3,5-8,16H,1,4,9-11H2,2H3
InChIKeyLUDDFZAUSCOXPV-UHFFFAOYSA-N
XLogP1.94
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(ethylamino)-3-(1-ethylbenzimidazol-2-yl)propan-2-one
CID 116562664
1-(1-ethylbenzimidazol-2-yl)-3-(propylamino)propan-2-one
CID 116562942
1,3-bis(1-ethylbenzimidazol-2-yl)propan-2-one
CID 91072390
1-(1-ethylbenzimidazol-2-yl)butan-2-one
CID 79754082
1-(1-ethylbenzimidazol-2-yl)-3,3-dimethylbutan-2-one
CID 79753443
2-[(1-ethylbenzimidazol-2-yl)methylamino]-N-methylacetamide
CID 60673139
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]prop-2-enamide
CID 16980199
1-(1-ethylbenzimidazol-2-yl)-3-(thian-4-yl)propan-2-one
CID 105114577
2-(1-ethylbenzimidazol-2-yl)acetaldehyde
CID 79753358
1-cyclobutyl-2-(1-ethylbenzimidazol-2-yl)ethanone
CID 79753193
1-(1-ethylbenzimidazol-2-yl)-3-(oxolan-2-yl)propan-2-one
CID 79753354
2-(1-ethylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanone
CID 79753775

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylbenzimidazol-2-yl)-3-(prop-2-enylamino)propan-2-one?
The IUPAC name of 1-(1-ethylbenzimidazol-2-yl)-3-(prop-2-enylamino)propan-2-one (CID 116589893) is 1-(1-ethylbenzimidazol-2-yl)-3-(prop-2-enylamino)propan-2-one.
What is the SMILES notation for 1-(1-ethylbenzimidazol-2-yl)-3-(prop-2-enylamino)propan-2-one?
The canonical SMILES for 1-(1-ethylbenzimidazol-2-yl)-3-(prop-2-enylamino)propan-2-one is C=CCNCC(=O)Cc1nc2ccccc2n1CC.
What is the InChIKey of 1-(1-ethylbenzimidazol-2-yl)-3-(prop-2-enylamino)propan-2-one?
The InChIKey is LUDDFZAUSCOXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-9-16-11-12(19)10-15-17-13-7-5-6-8-14(13)18(15)4-2/h3,5-8,16H,1,4,9-11H2,2H3.
What are the key properties of 1-(1-ethylbenzimidazol-2-yl)-3-(prop-2-enylamino)propan-2-one?
1-(1-ethylbenzimidazol-2-yl)-3-(prop-2-enylamino)propan-2-one has a molecular weight of 257.34 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylbenzimidazol-2-yl)-3-(prop-2-enylamino)propan-2-one is sourced from PubChem (CID 116589893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).