N-[1-[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]prop-2-enamide

C24H27N3O3 — CID 16969998

IUPACN-[1-[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]prop-2-enamide
SMILESC=CCc1ccc(OCCn2c(C(C)NC(=O)C=C)nc3ccccc32)c(OC)c1
InChIInChI=1S/C24H27N3O3/c1-5-9-18-12-13-21(22(16-18)29-4)30-15-14-27-20-11-8-7-10-19(20)26-24(27)17(3)25-23(28)6-2/h5-8,10-13,16-17H,1-2,9,14-15H2,3-4H3,(H,25,28)
InChIKeyYPIFUWPFZOCJDQ-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.22
Rot. Bonds10

About N-[1-[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]prop-2-enamide

N-[1-[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]prop-2-enamide (PubChem CID 16969998) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[1-[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[1-[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]prop-2-enamide
PubChem CID16969998
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC NameN-[1-[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]prop-2-enamide
SMILESC=CCc1ccc(OCCn2c(C(C)NC(=O)C=C)nc3ccccc32)c(OC)c1
InChIInChI=1S/C24H27N3O3/c1-5-9-18-12-13-21(22(16-18)29-4)30-15-14-27-20-11-8-7-10-19(20)26-24(27)17(3)25-23(28)6-2/h5-8,10-13,16-17H,1-2,9,14-15H2,3-4H3,(H,25,28)
InChIKeyYPIFUWPFZOCJDQ-UHFFFAOYSA-N
XLogP4.22
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16967516
2-(3,4-dimethoxyphenyl)-N-[1-[1-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide
CID 16972911
2-ethyl-N-[1-[1-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]benzimidazol-2-yl]ethyl]butanamide
CID 16969084
4-chloro-N-[1-[1-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009568
2-(3,4-dimethoxyphenyl)-N-[1-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16972885
N-[1-[1-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide
CID 16967862
N-[1-[1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16970050
1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 16996236
N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16970012
2-[1-(4-chlorophenoxy)ethyl]-1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazole
CID 16998964
2-(3,4-dimethoxyphenyl)-N-[1-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16972884
N-[2-[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16974167

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]prop-2-enamide?
The IUPAC name of N-[1-[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]prop-2-enamide (CID 16969998) is N-[1-[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]prop-2-enamide.
What is the SMILES notation for N-[1-[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]prop-2-enamide?
The canonical SMILES for N-[1-[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]prop-2-enamide is C=CCc1ccc(OCCn2c(C(C)NC(=O)C=C)nc3ccccc32)c(OC)c1.
What is the InChIKey of N-[1-[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]prop-2-enamide?
The InChIKey is YPIFUWPFZOCJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-5-9-18-12-13-21(22(16-18)29-4)30-15-14-27-20-11-8-7-10-19(20)26-24(27)17(3)25-23(28)6-2/h5-8,10-13,16-17H,1-2,9,14-15H2,3-4H3,(H,25,28).
What are the key properties of N-[1-[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]prop-2-enamide?
N-[1-[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]prop-2-enamide has a molecular weight of 405.50 g/mol, XLogP of 4.22, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]prop-2-enamide is sourced from PubChem (CID 16969998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).