N-[5-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide

C25H31N3O2 — CID 16987867

IUPACN-[5-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide
SMILESC=CCc1ccccc1OCCn1c(CCCCCNC(C)=O)nc2ccccc21
InChIInChI=1S/C25H31N3O2/c1-3-11-21-12-6-9-15-24(21)30-19-18-28-23-14-8-7-13-22(23)27-25(28)16-5-4-10-17-26-20(2)29/h3,6-9,12-15H,1,4-5,10-11,16-19H2,2H3,(H,26,29)
InChIKeyGCPKJOTWNYNHEB-UHFFFAOYSA-N
MW405.54 g/mol
LogP4.69
Rot. Bonds12

About N-[5-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide

N-[5-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide (PubChem CID 16987867) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is N-[5-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide.

Molecular Properties

Compound NameN-[5-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide
PubChem CID16987867
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC NameN-[5-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide
SMILESC=CCc1ccccc1OCCn1c(CCCCCNC(C)=O)nc2ccccc21
InChIInChI=1S/C25H31N3O2/c1-3-11-21-12-6-9-15-24(21)30-19-18-28-23-14-8-7-13-22(23)27-25(28)16-5-4-10-17-26-20(2)29/h3,6-9,12-15H,1,4-5,10-11,16-19H2,2H3,(H,26,29)
InChIKeyGCPKJOTWNYNHEB-UHFFFAOYSA-N
XLogP4.69
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2,2-dimethyl-N-[5-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]pentyl]propanamide
CID 16988839
4-methyl-N-[5-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991917
N-[5-[1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide
CID 16988055
N-[[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]methyl]acetamide
CID 17005933
4-chloro-N-[5-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991431
2-(4-phenylphenyl)-N-[5-[1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide
CID 16994402
N-[5-[1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazol-2-yl]pentyl]cyclopropanecarboxamide
CID 16989189
3-bromo-N-[5-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990621
4-methoxy-N-[5-[1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991295
N-[2-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16980257
(Z)-N-[3-[1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazol-2-yl]propyl]but-2-enamide
CID 16987104
3,4-dimethoxy-N-[5-[1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990971

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide?
The IUPAC name of N-[5-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide (CID 16987867) is N-[5-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide.
What is the SMILES notation for N-[5-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide?
The canonical SMILES for N-[5-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide is C=CCc1ccccc1OCCn1c(CCCCCNC(C)=O)nc2ccccc21.
What is the InChIKey of N-[5-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide?
The InChIKey is GCPKJOTWNYNHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-3-11-21-12-6-9-15-24(21)30-19-18-28-23-14-8-7-13-22(23)27-25(28)16-5-4-10-17-26-20(2)29/h3,6-9,12-15H,1,4-5,10-11,16-19H2,2H3,(H,26,29).
What are the key properties of N-[5-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide?
N-[5-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide has a molecular weight of 405.54 g/mol, XLogP of 4.69, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide is sourced from PubChem (CID 16987867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).