2-cyclopropyl-1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazole

C23H26N2O2 — CID 16996695

IUPAC2-cyclopropyl-1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazole
SMILESC/C=C/c1ccc(OCCCn2c(C3CC3)nc3ccccc32)c(OC)c1
InChIInChI=1S/C23H26N2O2/c1-3-7-17-10-13-21(22(16-17)26-2)27-15-6-14-25-20-9-5-4-8-19(20)24-23(25)18-11-12-18/h3-5,7-10,13,16,18H,6,11-12,14-15H2,1-2H3/b7-3+
InChIKeySXSNQODWXBDQFT-XVNBXDOJSA-N
MW362.47 g/mol
LogP5.42
Rot. Bonds8

About 2-cyclopropyl-1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazole

2-cyclopropyl-1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazole (PubChem CID 16996695) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-cyclopropyl-1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazole.

Molecular Properties

Compound Name2-cyclopropyl-1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazole
PubChem CID16996695
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name2-cyclopropyl-1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazole
SMILESC/C=C/c1ccc(OCCCn2c(C3CC3)nc3ccccc32)c(OC)c1
InChIInChI=1S/C23H26N2O2/c1-3-7-17-10-13-21(22(16-17)26-2)27-15-6-14-25-20-9-5-4-8-19(20)24-23(25)18-11-12-18/h3-5,7-10,13,16,18H,6,11-12,14-15H2,1-2H3/b7-3+
InChIKeySXSNQODWXBDQFT-XVNBXDOJSA-N
XLogP5.42
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one
CID 17002328
4-[1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazol-2-yl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 17005767
1-(2-fluorophenyl)-4-[1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17003448
1-(2,5-dimethylphenyl)-4-[1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17003043
4-[1-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 74896175
2-(furan-2-yl)-1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazole
CID 17000188
4-[[1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazol-2-yl]methyl]morpholine
CID 50744797
1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]-2-(2-phenylethyl)benzimidazole
CID 16999516
4-[3-[1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazol-2-yl]propyl]morpholine
CID 18885473
N-[1-[1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide
CID 16970186
2-(2,4-dimethylphenyl)-1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazole
CID 16987621
1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]-2-(naphthalen-2-yloxymethyl)benzimidazole
CID 16999294

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazole?
The IUPAC name of 2-cyclopropyl-1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazole (CID 16996695) is 2-cyclopropyl-1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazole.
What is the SMILES notation for 2-cyclopropyl-1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazole?
The canonical SMILES for 2-cyclopropyl-1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazole is C/C=C/c1ccc(OCCCn2c(C3CC3)nc3ccccc32)c(OC)c1.
What is the InChIKey of 2-cyclopropyl-1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazole?
The InChIKey is SXSNQODWXBDQFT-XVNBXDOJSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-3-7-17-10-13-21(22(16-17)26-2)27-15-6-14-25-20-9-5-4-8-19(20)24-23(25)18-11-12-18/h3-5,7-10,13,16,18H,6,11-12,14-15H2,1-2H3/b7-3+.
What are the key properties of 2-cyclopropyl-1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazole?
2-cyclopropyl-1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazole has a molecular weight of 362.47 g/mol, XLogP of 5.42, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazole is sourced from PubChem (CID 16996695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).