(E)-N-[5-(1-ethylbenzimidazol-2-yl)pentyl]but-2-enamide

C18H25N3O — CID 16992021

IUPAC(E)-N-[5-(1-ethylbenzimidazol-2-yl)pentyl]but-2-enamide
SMILESC/C=C/C(=O)NCCCCCc1nc2ccccc2n1CC
InChIInChI=1S/C18H25N3O/c1-3-10-18(22)19-14-9-5-6-13-17-20-15-11-7-8-12-16(15)21(17)4-2/h3,7-8,10-12H,4-6,9,13-14H2,1-2H3,(H,19,22)/b10-3+
InChIKeyMOBIJUMFHDUCKL-XCVCLJGOSA-N
MW299.42 g/mol
LogP3.46
Rot. Bonds8

About (E)-N-[5-(1-ethylbenzimidazol-2-yl)pentyl]but-2-enamide

(E)-N-[5-(1-ethylbenzimidazol-2-yl)pentyl]but-2-enamide (PubChem CID 16992021) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is (E)-N-[5-(1-ethylbenzimidazol-2-yl)pentyl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-[5-(1-ethylbenzimidazol-2-yl)pentyl]but-2-enamide
PubChem CID16992021
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name(E)-N-[5-(1-ethylbenzimidazol-2-yl)pentyl]but-2-enamide
SMILESC/C=C/C(=O)NCCCCCc1nc2ccccc2n1CC
InChIInChI=1S/C18H25N3O/c1-3-10-18(22)19-14-9-5-6-13-17-20-15-11-7-8-12-16(15)21(17)4-2/h3,7-8,10-12H,4-6,9,13-14H2,1-2H3,(H,19,22)/b10-3+
InChIKeyMOBIJUMFHDUCKL-XCVCLJGOSA-N
XLogP3.46
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.46
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

(E)-N-[5-(1-benzylbenzimidazol-2-yl)pentyl]but-2-enamide
CID 16992042
N-[3-(1-ethylbenzimidazol-2-yl)propyl]prop-2-enamide
CID 16986696
(Z)-N-[3-(1-prop-2-ynylbenzimidazol-2-yl)propyl]but-2-enamide
CID 16987027
(E)-N-[5-[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]pentyl]but-2-enamide
CID 16992146
N-[5-(1-ethylbenzimidazol-2-yl)pentyl]benzamide
CID 16989267
(E)-N-[5-[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]pentyl]but-2-enamide
CID 16992179
N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylpropanamide
CID 4754827
(E)-N-[5-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]pentyl]but-2-enamide
CID 16992111
(E)-N-[5-[1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pentyl]but-2-enamide
CID 16992118
(E)-N-[5-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]but-2-enamide
CID 16992075
N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylprop-2-enamide
CID 16986858
(Z)-N-[3-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]propyl]but-2-enamide
CID 16987132

Frequently Asked Questions

What is the IUPAC name of (E)-N-[5-(1-ethylbenzimidazol-2-yl)pentyl]but-2-enamide?
The IUPAC name of (E)-N-[5-(1-ethylbenzimidazol-2-yl)pentyl]but-2-enamide (CID 16992021) is (E)-N-[5-(1-ethylbenzimidazol-2-yl)pentyl]but-2-enamide.
What is the SMILES notation for (E)-N-[5-(1-ethylbenzimidazol-2-yl)pentyl]but-2-enamide?
The canonical SMILES for (E)-N-[5-(1-ethylbenzimidazol-2-yl)pentyl]but-2-enamide is C/C=C/C(=O)NCCCCCc1nc2ccccc2n1CC.
What is the InChIKey of (E)-N-[5-(1-ethylbenzimidazol-2-yl)pentyl]but-2-enamide?
The InChIKey is MOBIJUMFHDUCKL-XCVCLJGOSA-N. The full InChI is InChI=1S/C18H25N3O/c1-3-10-18(22)19-14-9-5-6-13-17-20-15-11-7-8-12-16(15)21(17)4-2/h3,7-8,10-12H,4-6,9,13-14H2,1-2H3,(H,19,22)/b10-3+.
What are the key properties of (E)-N-[5-(1-ethylbenzimidazol-2-yl)pentyl]but-2-enamide?
(E)-N-[5-(1-ethylbenzimidazol-2-yl)pentyl]but-2-enamide has a molecular weight of 299.42 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[5-(1-ethylbenzimidazol-2-yl)pentyl]but-2-enamide is sourced from PubChem (CID 16992021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).