N-[1-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide

C24H29N3O3 — CID 16970219

IUPACN-[1-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(C)c1nc2ccccc2n1CCCCOc1cccc(OC)c1
InChIInChI=1S/C24H29N3O3/c1-17(2)24(28)25-18(3)23-26-21-12-5-6-13-22(21)27(23)14-7-8-15-30-20-11-9-10-19(16-20)29-4/h5-6,9-13,16,18H,1,7-8,14-15H2,2-4H3,(H,25,28)
InChIKeyHSAGQXLMAKZYDZ-UHFFFAOYSA-N
MW407.51 g/mol
LogP4.66
Rot. Bonds10

About N-[1-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide

N-[1-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide (PubChem CID 16970219) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-[1-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[1-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide
PubChem CID16970219
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC NameN-[1-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(C)c1nc2ccccc2n1CCCCOc1cccc(OC)c1
InChIInChI=1S/C24H29N3O3/c1-17(2)24(28)25-18(3)23-26-21-12-5-6-13-22(21)27(23)14-7-8-15-30-20-11-9-10-19(16-20)29-4/h5-6,9-13,16,18H,1,7-8,14-15H2,2-4H3,(H,25,28)
InChIKeyHSAGQXLMAKZYDZ-UHFFFAOYSA-N
XLogP4.66
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[1-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide
CID 16968167
N-[1-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide
CID 16970172
N-[1-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16970027
N-[1-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16972591
N-[1-[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide
CID 16970226
4-methoxy-N-[1-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009703
N-[1-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide
CID 16970208
2-methyl-N-[1-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16970194
N-[1-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16967575
N-[1-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16973541
N-[1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
CID 16969373
N-[1-[1-[3-(2,5-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide
CID 16970180

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide?
The IUPAC name of N-[1-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide (CID 16970219) is N-[1-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[1-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[1-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide is C=C(C)C(=O)NC(C)c1nc2ccccc2n1CCCCOc1cccc(OC)c1.
What is the InChIKey of N-[1-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide?
The InChIKey is HSAGQXLMAKZYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-17(2)24(28)25-18(3)23-26-21-12-5-6-13-22(21)27(23)14-7-8-15-30-20-11-9-10-19(16-20)29-4/h5-6,9-13,16,18H,1,7-8,14-15H2,2-4H3,(H,25,28).
What are the key properties of N-[1-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide?
N-[1-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide has a molecular weight of 407.51 g/mol, XLogP of 4.66, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide is sourced from PubChem (CID 16970219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).