N-[3-(1-ethylbenzimidazol-2-yl)propyl]prop-2-enamide

C15H19N3O — CID 16986696

IUPACN-[3-(1-ethylbenzimidazol-2-yl)propyl]prop-2-enamide
SMILESC=CC(=O)NCCCc1nc2ccccc2n1CC
InChIInChI=1S/C15H19N3O/c1-3-15(19)16-11-7-10-14-17-12-8-5-6-9-13(12)18(14)4-2/h3,5-6,8-9H,1,4,7,10-11H2,2H3,(H,16,19)
InChIKeyCBAFZNKLSZBCLP-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.29
Rot. Bonds6

About N-[3-(1-ethylbenzimidazol-2-yl)propyl]prop-2-enamide

N-[3-(1-ethylbenzimidazol-2-yl)propyl]prop-2-enamide (PubChem CID 16986696) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[3-(1-ethylbenzimidazol-2-yl)propyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-(1-ethylbenzimidazol-2-yl)propyl]prop-2-enamide
PubChem CID16986696
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-[3-(1-ethylbenzimidazol-2-yl)propyl]prop-2-enamide
SMILESC=CC(=O)NCCCc1nc2ccccc2n1CC
InChIInChI=1S/C15H19N3O/c1-3-15(19)16-11-7-10-14-17-12-8-5-6-9-13(12)18(14)4-2/h3,5-6,8-9H,1,4,7,10-11H2,2H3,(H,16,19)
InChIKeyCBAFZNKLSZBCLP-UHFFFAOYSA-N
XLogP2.29
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1-ethylbenzimidazol-2-yl)ethyl]prop-2-enamide
CID 16980199
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-prop-2-enylbenzimidazol-2-yl)propyl]prop-2-enamide
CID 16986702
N-[5-(1-heptylbenzimidazol-2-yl)pentyl]prop-2-enamide
CID 16992196
N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]prop-2-enamide
CID 16986719
(E)-N-[5-(1-ethylbenzimidazol-2-yl)pentyl]but-2-enamide
CID 16992021
N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylprop-2-enamide
CID 16986858
N-[2-(1-butylbenzimidazol-2-yl)ethyl]prop-2-enamide
CID 16980207
N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylpropanamide
CID 4754827
N-[3-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]prop-2-enamide
CID 16986828
N-[2-(1-dodecylbenzimidazol-2-yl)ethyl]prop-2-enamide
CID 16980217

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-ethylbenzimidazol-2-yl)propyl]prop-2-enamide?
The IUPAC name of N-[3-(1-ethylbenzimidazol-2-yl)propyl]prop-2-enamide (CID 16986696) is N-[3-(1-ethylbenzimidazol-2-yl)propyl]prop-2-enamide.
What is the SMILES notation for N-[3-(1-ethylbenzimidazol-2-yl)propyl]prop-2-enamide?
The canonical SMILES for N-[3-(1-ethylbenzimidazol-2-yl)propyl]prop-2-enamide is C=CC(=O)NCCCc1nc2ccccc2n1CC.
What is the InChIKey of N-[3-(1-ethylbenzimidazol-2-yl)propyl]prop-2-enamide?
The InChIKey is CBAFZNKLSZBCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-15(19)16-11-7-10-14-17-12-8-5-6-9-13(12)18(14)4-2/h3,5-6,8-9H,1,4,7,10-11H2,2H3,(H,16,19).
What are the key properties of N-[3-(1-ethylbenzimidazol-2-yl)propyl]prop-2-enamide?
N-[3-(1-ethylbenzimidazol-2-yl)propyl]prop-2-enamide has a molecular weight of 257.34 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-ethylbenzimidazol-2-yl)propyl]prop-2-enamide is sourced from PubChem (CID 16986696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).