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

C24H29N3O3 — CID 17005991

IUPACN-[[1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazol-2-yl]methyl]acetamide
SMILESC/C=C/c1ccc(OCCCCn2c(CNC(C)=O)nc3ccccc32)c(OC)c1
InChIInChI=1S/C24H29N3O3/c1-4-9-19-12-13-22(23(16-19)29-3)30-15-8-7-14-27-21-11-6-5-10-20(21)26-24(27)17-25-18(2)28/h4-6,9-13,16H,7-8,14-15,17H2,1-3H3,(H,25,28)/b9-4+
InChIKeyOZTFJZHWIILESD-RUDMXATFSA-N
MW407.51 g/mol
LogP4.57
Rot. Bonds10

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

N-[[1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazol-2-yl]methyl]acetamide (PubChem CID 17005991) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-[[1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazol-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazol-2-yl]methyl]acetamide
PubChem CID17005991
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC NameN-[[1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazol-2-yl]methyl]acetamide
SMILESC/C=C/c1ccc(OCCCCn2c(CNC(C)=O)nc3ccccc32)c(OC)c1
InChIInChI=1S/C24H29N3O3/c1-4-9-19-12-13-22(23(16-19)29-3)30-15-8-7-14-27-21-11-6-5-10-20(21)26-24(27)17-25-18(2)28/h4-6,9-13,16H,7-8,14-15,17H2,1-3H3,(H,25,28)/b9-4+
InChIKeyOZTFJZHWIILESD-RUDMXATFSA-N
XLogP4.57
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 ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[[1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazol-2-yl]methyl]acetamide
CID 17006614
N-[5-[1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazol-2-yl]pentyl]acetamide
CID 16987925
1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]-2-(2-phenylethyl)benzimidazole
CID 16999516
N-[2-[1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazol-2-yl]ethyl]butanamide
CID 16974492
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-[2-[1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide
CID 16966450
N-[[1-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]benzimidazol-2-yl]methyl]acetamide
CID 17005961
N-[5-[1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide
CID 16993433
4-fluoro-N-[3-[1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazol-2-yl]propyl]benzamide
CID 16984514
1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]-2-(naphthalen-2-yloxymethyl)benzimidazole
CID 16999294
3,4,5-trimethoxy-N-[5-[1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991165

Frequently Asked Questions

What is the IUPAC name of N-[[1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazol-2-yl]methyl]acetamide?
The IUPAC name of N-[[1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazol-2-yl]methyl]acetamide (CID 17005991) is N-[[1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazol-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazol-2-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazol-2-yl]methyl]acetamide is C/C=C/c1ccc(OCCCCn2c(CNC(C)=O)nc3ccccc32)c(OC)c1.
What is the InChIKey of N-[[1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazol-2-yl]methyl]acetamide?
The InChIKey is OZTFJZHWIILESD-RUDMXATFSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-4-9-19-12-13-22(23(16-19)29-3)30-15-8-7-14-27-21-11-6-5-10-20(21)26-24(27)17-25-18(2)28/h4-6,9-13,16H,7-8,14-15,17H2,1-3H3,(H,25,28)/b9-4+.
What are the key properties of N-[[1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazol-2-yl]methyl]acetamide?
N-[[1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazol-2-yl]methyl]acetamide has a molecular weight of 407.51 g/mol, XLogP of 4.57, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazol-2-yl]methyl]acetamide is sourced from PubChem (CID 17005991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).