N-[3-[1-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]benzimidazol-2-yl]propyl]formamide

C23H27N3O3 — CID 2988717

IUPACN-[3-[1-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]benzimidazol-2-yl]propyl]formamide
SMILESCC=Cc1ccc(OCCn2c(CCCNC=O)nc3ccccc32)c(OC)c1
InChIInChI=1S/C23H27N3O3/c1-3-7-18-11-12-21(22(16-18)28-2)29-15-14-26-20-9-5-4-8-19(20)25-23(26)10-6-13-24-17-27/h3-5,7-9,11-12,16-17H,6,10,13-15H2,1-2H3,(H,24,27)
InChIKeyGRBNLOFIPDYEAR-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.84
Rot. Bonds11

About N-[3-[1-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]benzimidazol-2-yl]propyl]formamide

N-[3-[1-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]benzimidazol-2-yl]propyl]formamide (PubChem CID 2988717) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[3-[1-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]benzimidazol-2-yl]propyl]formamide.

Molecular Properties

Compound NameN-[3-[1-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]benzimidazol-2-yl]propyl]formamide
PubChem CID2988717
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-[3-[1-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]benzimidazol-2-yl]propyl]formamide
SMILESCC=Cc1ccc(OCCn2c(CCCNC=O)nc3ccccc32)c(OC)c1
InChIInChI=1S/C23H27N3O3/c1-3-7-18-11-12-21(22(16-18)28-2)29-15-14-26-20-9-5-4-8-19(20)25-23(26)10-6-13-24-17-27/h3-5,7-9,11-12,16-17H,6,10,13-15H2,1-2H3,(H,24,27)
InChIKeyGRBNLOFIPDYEAR-UHFFFAOYSA-N
XLogP3.84
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazol-2-yl]pentyl]acetamide
CID 16987925
3,4-dimethoxy-N-[5-[1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990974
3,4-dimethoxy-N-[2-[1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976902
N-[5-[1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazol-2-yl]pentyl]prop-2-enamide
CID 16992299
N-[5-[1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazol-2-yl]pentyl]-4-methylbenzamide
CID 16991946
1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]-2-(2-phenylethyl)benzimidazole
CID 16999516
4-chloro-N-[3-[1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazol-2-yl]propyl]benzamide
CID 16984635
4-fluoro-N-[3-[1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazol-2-yl]propyl]benzamide
CID 16984514
N-[5-[1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide
CID 16993433
3,4,5-trimethoxy-N-[5-[1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991165
N-[5-[1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazol-2-yl]pentyl]-2,4-dimethylbenzamide
CID 16989707
N-[2-[1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazol-2-yl]ethyl]butanamide
CID 16974492

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]benzimidazol-2-yl]propyl]formamide?
The IUPAC name of N-[3-[1-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]benzimidazol-2-yl]propyl]formamide (CID 2988717) is N-[3-[1-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]benzimidazol-2-yl]propyl]formamide.
What is the SMILES notation for N-[3-[1-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]benzimidazol-2-yl]propyl]formamide?
The canonical SMILES for N-[3-[1-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]benzimidazol-2-yl]propyl]formamide is CC=Cc1ccc(OCCn2c(CCCNC=O)nc3ccccc32)c(OC)c1.
What is the InChIKey of N-[3-[1-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]benzimidazol-2-yl]propyl]formamide?
The InChIKey is GRBNLOFIPDYEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-3-7-18-11-12-21(22(16-18)28-2)29-15-14-26-20-9-5-4-8-19(20)25-23(26)10-6-13-24-17-27/h3-5,7-9,11-12,16-17H,6,10,13-15H2,1-2H3,(H,24,27).
What are the key properties of N-[3-[1-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]benzimidazol-2-yl]propyl]formamide?
N-[3-[1-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]benzimidazol-2-yl]propyl]formamide has a molecular weight of 393.49 g/mol, XLogP of 3.84, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]benzimidazol-2-yl]propyl]formamide is sourced from PubChem (CID 2988717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).