N-[2-(1-ethylbenzimidazol-2-yl)ethyl]prop-2-enamide

C14H17N3O — CID 16980199

IUPACN-[2-(1-ethylbenzimidazol-2-yl)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCc1nc2ccccc2n1CC
InChIInChI=1S/C14H17N3O/c1-3-14(18)15-10-9-13-16-11-7-5-6-8-12(11)17(13)4-2/h3,5-8H,1,4,9-10H2,2H3,(H,15,18)
InChIKeyQHSSPOIXYYJDPC-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.90
Rot. Bonds5

About N-[2-(1-ethylbenzimidazol-2-yl)ethyl]prop-2-enamide

N-[2-(1-ethylbenzimidazol-2-yl)ethyl]prop-2-enamide (PubChem CID 16980199) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[2-(1-ethylbenzimidazol-2-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(1-ethylbenzimidazol-2-yl)ethyl]prop-2-enamide
PubChem CID16980199
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-[2-(1-ethylbenzimidazol-2-yl)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCc1nc2ccccc2n1CC
InChIInChI=1S/C14H17N3O/c1-3-14(18)15-10-9-13-16-11-7-5-6-8-12(11)17(13)4-2/h3,5-8H,1,4,9-10H2,2H3,(H,15,18)
InChIKeyQHSSPOIXYYJDPC-UHFFFAOYSA-N
XLogP1.90
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-(1-ethylbenzimidazol-2-yl)propyl]prop-2-enamide
CID 16986696
N-[2-(1-butylbenzimidazol-2-yl)ethyl]prop-2-enamide
CID 16980207
N-[2-(1-undecylbenzimidazol-2-yl)ethyl]prop-2-enamide
CID 16980216
N-[2-(1-dodecylbenzimidazol-2-yl)ethyl]prop-2-enamide
CID 16980217
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide
CID 751289
N-[2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16980343
N-[3-(1-decylbenzimidazol-2-yl)propyl]prop-2-enamide
CID 16986712
N-[3-(1-heptylbenzimidazol-2-yl)propyl]prop-2-enamide
CID 16986709
N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]prop-2-enamide
CID 16986719
N-[5-(1-heptylbenzimidazol-2-yl)pentyl]prop-2-enamide
CID 16992196
N-[3-(1-prop-2-enylbenzimidazol-2-yl)propyl]prop-2-enamide
CID 16986702
(2R)-2-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]propanamide
CID 119866308

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-ethylbenzimidazol-2-yl)ethyl]prop-2-enamide?
The IUPAC name of N-[2-(1-ethylbenzimidazol-2-yl)ethyl]prop-2-enamide (CID 16980199) is N-[2-(1-ethylbenzimidazol-2-yl)ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-(1-ethylbenzimidazol-2-yl)ethyl]prop-2-enamide?
The canonical SMILES for N-[2-(1-ethylbenzimidazol-2-yl)ethyl]prop-2-enamide is C=CC(=O)NCCc1nc2ccccc2n1CC.
What is the InChIKey of N-[2-(1-ethylbenzimidazol-2-yl)ethyl]prop-2-enamide?
The InChIKey is QHSSPOIXYYJDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-3-14(18)15-10-9-13-16-11-7-5-6-8-12(11)17(13)4-2/h3,5-8H,1,4,9-10H2,2H3,(H,15,18).
What are the key properties of N-[2-(1-ethylbenzimidazol-2-yl)ethyl]prop-2-enamide?
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]prop-2-enamide has a molecular weight of 243.31 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-ethylbenzimidazol-2-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 16980199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).