1-(1-ethylbenzimidazol-2-yl)-3-(propylamino)propan-2-one

C15H21N3O — CID 116562942

IUPAC1-(1-ethylbenzimidazol-2-yl)-3-(propylamino)propan-2-one
SMILESCCCNCC(=O)Cc1nc2ccccc2n1CC
InChIInChI=1S/C15H21N3O/c1-3-9-16-11-12(19)10-15-17-13-7-5-6-8-14(13)18(15)4-2/h5-8,16H,3-4,9-11H2,1-2H3
InChIKeyBLAYDPDGGAHTGI-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.17
Rot. Bonds7

About 1-(1-ethylbenzimidazol-2-yl)-3-(propylamino)propan-2-one

1-(1-ethylbenzimidazol-2-yl)-3-(propylamino)propan-2-one (PubChem CID 116562942) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-(1-ethylbenzimidazol-2-yl)-3-(propylamino)propan-2-one.

Molecular Properties

Compound Name1-(1-ethylbenzimidazol-2-yl)-3-(propylamino)propan-2-one
PubChem CID116562942
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-(1-ethylbenzimidazol-2-yl)-3-(propylamino)propan-2-one
SMILESCCCNCC(=O)Cc1nc2ccccc2n1CC
InChIInChI=1S/C15H21N3O/c1-3-9-16-11-12(19)10-15-17-13-7-5-6-8-14(13)18(15)4-2/h5-8,16H,3-4,9-11H2,1-2H3
InChIKeyBLAYDPDGGAHTGI-UHFFFAOYSA-N
XLogP2.17
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(ethylamino)-3-(1-ethylbenzimidazol-2-yl)propan-2-one
CID 116562664
1,3-bis(1-ethylbenzimidazol-2-yl)propan-2-one
CID 91072390
1-(1-ethylbenzimidazol-2-yl)-3-(prop-2-enylamino)propan-2-one
CID 116589893
1-(1-ethylbenzimidazol-2-yl)butan-2-one
CID 79754082
1-(1-ethylbenzimidazol-2-yl)-3,3-dimethylbutan-2-one
CID 79753443
1-(1-ethylbenzimidazol-2-yl)-3-propylhexan-2-one
CID 115782747
2-[(1-ethylbenzimidazol-2-yl)methylamino]-N-methylacetamide
CID 60673139
1-(1-ethylbenzimidazol-2-yl)-3-(thian-4-yl)propan-2-one
CID 105114577
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
1-(1-aminocyclopentyl)-3-(1-ethylbenzimidazol-2-yl)propan-2-one
CID 116578839
3-amino-3-ethyl-1-(1-ethylbenzimidazol-2-yl)pentan-2-one
CID 116592819

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylbenzimidazol-2-yl)-3-(propylamino)propan-2-one?
The IUPAC name of 1-(1-ethylbenzimidazol-2-yl)-3-(propylamino)propan-2-one (CID 116562942) is 1-(1-ethylbenzimidazol-2-yl)-3-(propylamino)propan-2-one.
What is the SMILES notation for 1-(1-ethylbenzimidazol-2-yl)-3-(propylamino)propan-2-one?
The canonical SMILES for 1-(1-ethylbenzimidazol-2-yl)-3-(propylamino)propan-2-one is CCCNCC(=O)Cc1nc2ccccc2n1CC.
What is the InChIKey of 1-(1-ethylbenzimidazol-2-yl)-3-(propylamino)propan-2-one?
The InChIKey is BLAYDPDGGAHTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-9-16-11-12(19)10-15-17-13-7-5-6-8-14(13)18(15)4-2/h5-8,16H,3-4,9-11H2,1-2H3.
What are the key properties of 1-(1-ethylbenzimidazol-2-yl)-3-(propylamino)propan-2-one?
1-(1-ethylbenzimidazol-2-yl)-3-(propylamino)propan-2-one has a molecular weight of 259.35 g/mol, XLogP of 2.17, 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-(propylamino)propan-2-one is sourced from PubChem (CID 116562942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).