2-methoxy-N-[[1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide

C24H29N3O3 — CID 17006611

IUPAC2-methoxy-N-[[1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide
SMILESC=CCc1ccccc1OCCCCn1c(CNC(=O)COC)nc2ccccc21
InChIInChI=1S/C24H29N3O3/c1-3-10-19-11-4-7-14-22(19)30-16-9-8-15-27-21-13-6-5-12-20(21)26-23(27)17-25-24(28)18-29-2/h3-7,11-14H,1,8-10,15-18H2,2H3,(H,25,28)
InChIKeyFZBGGYORYYYCSO-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.89
Rot. Bonds12

About 2-methoxy-N-[[1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide

2-methoxy-N-[[1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide (PubChem CID 17006611) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 2-methoxy-N-[[1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[[1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide
PubChem CID17006611
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name2-methoxy-N-[[1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide
SMILESC=CCc1ccccc1OCCCCn1c(CNC(=O)COC)nc2ccccc21
InChIInChI=1S/C24H29N3O3/c1-3-10-19-11-4-7-14-22(19)30-16-9-8-15-27-21-13-6-5-12-20(21)26-23(27)17-25-24(28)18-29-2/h3-7,11-14H,1,8-10,15-18H2,2H3,(H,25,28)
InChIKeyFZBGGYORYYYCSO-UHFFFAOYSA-N
XLogP3.89
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]methyl]acetamide
CID 17005933
N-[2-[1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]ethyl]butanamide
CID 16974489
4-fluoro-N-[[1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17008938
4-bromo-N-[[1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17009251
4-chloro-N-[[1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
CID 17009061
2-phenoxy-N-[2-[1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide
CID 16978519
N-[5-[1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide
CID 16988055
3,4,5-trimethoxy-N-[2-[1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977081
(Z)-N-[3-[1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazol-2-yl]propyl]but-2-enamide
CID 16987104
2-(2,5-dimethylphenoxy)-N-[3-[1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]propyl]acetamide
CID 16986647
3-phenyl-N-[3-[1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]propyl]propanamide
CID 16986104
2-methoxy-N-[2-[1-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide
CID 16974644

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide?
The IUPAC name of 2-methoxy-N-[[1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide (CID 17006611) is 2-methoxy-N-[[1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[[1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide?
The canonical SMILES for 2-methoxy-N-[[1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide is C=CCc1ccccc1OCCCCn1c(CNC(=O)COC)nc2ccccc21.
What is the InChIKey of 2-methoxy-N-[[1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide?
The InChIKey is FZBGGYORYYYCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-3-10-19-11-4-7-14-22(19)30-16-9-8-15-27-21-13-6-5-12-20(21)26-23(27)17-25-24(28)18-29-2/h3-7,11-14H,1,8-10,15-18H2,2H3,(H,25,28).
What are the key properties of 2-methoxy-N-[[1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide?
2-methoxy-N-[[1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide has a molecular weight of 407.51 g/mol, XLogP of 3.89, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide is sourced from PubChem (CID 17006611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).