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

C24H37N3O — CID 16980217

IUPACN-[2-(1-dodecylbenzimidazol-2-yl)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCc1nc2ccccc2n1CCCCCCCCCCCC
InChIInChI=1S/C24H37N3O/c1-3-5-6-7-8-9-10-11-12-15-20-27-22-17-14-13-16-21(22)26-23(27)18-19-25-24(28)4-2/h4,13-14,16-17H,2-3,5-12,15,18-20H2,1H3,(H,25,28)
InChIKeyBMLDKGUHEQPKHM-UHFFFAOYSA-N
MW383.58 g/mol
LogP5.80
Rot. Bonds15

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

N-[2-(1-dodecylbenzimidazol-2-yl)ethyl]prop-2-enamide (PubChem CID 16980217) has the molecular formula C24H37N3O and a molecular weight of 383.58 g/mol. Its IUPAC name is N-[2-(1-dodecylbenzimidazol-2-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(1-dodecylbenzimidazol-2-yl)ethyl]prop-2-enamide
PubChem CID16980217
Molecular FormulaC24H37N3O
Molecular Weight383.58 g/mol
Exact Mass383.29
IUPAC NameN-[2-(1-dodecylbenzimidazol-2-yl)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCc1nc2ccccc2n1CCCCCCCCCCCC
InChIInChI=1S/C24H37N3O/c1-3-5-6-7-8-9-10-11-12-15-20-27-22-17-14-13-16-21(22)26-23(27)18-19-25-24(28)4-2/h4,13-14,16-17H,2-3,5-12,15,18-20H2,1H3,(H,25,28)
InChIKeyBMLDKGUHEQPKHM-UHFFFAOYSA-N
XLogP5.80
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.58
LogP ≤ 55.80
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-undecylbenzimidazol-2-yl)ethyl]prop-2-enamide
CID 16980216
N-[2-(1-butylbenzimidazol-2-yl)ethyl]prop-2-enamide
CID 16980207
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-[5-(1-heptylbenzimidazol-2-yl)pentyl]prop-2-enamide
CID 16992196
N-[(1-dodecylbenzimidazol-2-yl)methyl]prop-2-enamide
CID 16972208
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]prop-2-enamide
CID 16980199
(E)-3-phenyl-N-[2-(1-undecylbenzimidazol-2-yl)ethyl]prop-2-enamide
CID 18889083
N-[2-(1-undecylbenzimidazol-2-yl)ethyl]benzamide
CID 16975728
N-[3-(1-ethylbenzimidazol-2-yl)propyl]prop-2-enamide
CID 16986696
N-[2-(1-undecylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 16965865
2-methoxy-N-[2-(1-nonylbenzimidazol-2-yl)ethyl]acetamide
CID 16974546

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-dodecylbenzimidazol-2-yl)ethyl]prop-2-enamide?
The IUPAC name of N-[2-(1-dodecylbenzimidazol-2-yl)ethyl]prop-2-enamide (CID 16980217) is N-[2-(1-dodecylbenzimidazol-2-yl)ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-(1-dodecylbenzimidazol-2-yl)ethyl]prop-2-enamide?
The canonical SMILES for N-[2-(1-dodecylbenzimidazol-2-yl)ethyl]prop-2-enamide is C=CC(=O)NCCc1nc2ccccc2n1CCCCCCCCCCCC.
What is the InChIKey of N-[2-(1-dodecylbenzimidazol-2-yl)ethyl]prop-2-enamide?
The InChIKey is BMLDKGUHEQPKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O/c1-3-5-6-7-8-9-10-11-12-15-20-27-22-17-14-13-16-21(22)26-23(27)18-19-25-24(28)4-2/h4,13-14,16-17H,2-3,5-12,15,18-20H2,1H3,(H,25,28).
What are the key properties of N-[2-(1-dodecylbenzimidazol-2-yl)ethyl]prop-2-enamide?
N-[2-(1-dodecylbenzimidazol-2-yl)ethyl]prop-2-enamide has a molecular weight of 383.58 g/mol, XLogP of 5.80, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-dodecylbenzimidazol-2-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 16980217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).