2-[(2-methoxy-4-prop-1-enylphenoxy)methyl]-1-prop-2-ynylbenzimidazole

C21H20N2O2 — CID 2988325

IUPAC2-[(2-methoxy-4-prop-1-enylphenoxy)methyl]-1-prop-2-ynylbenzimidazole
SMILESC#CCn1c(COc2ccc(C=CC)cc2OC)nc2ccccc21
InChIInChI=1S/C21H20N2O2/c1-4-8-16-11-12-19(20(14-16)24-3)25-15-21-22-17-9-6-7-10-18(17)23(21)13-5-2/h2,4,6-12,14H,13,15H2,1,3H3
InChIKeyGTCVZWWYVUFYMB-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.29
Rot. Bonds6

About 2-[(2-methoxy-4-prop-1-enylphenoxy)methyl]-1-prop-2-ynylbenzimidazole

2-[(2-methoxy-4-prop-1-enylphenoxy)methyl]-1-prop-2-ynylbenzimidazole (PubChem CID 2988325) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-[(2-methoxy-4-prop-1-enylphenoxy)methyl]-1-prop-2-ynylbenzimidazole.

Molecular Properties

Compound Name2-[(2-methoxy-4-prop-1-enylphenoxy)methyl]-1-prop-2-ynylbenzimidazole
PubChem CID2988325
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name2-[(2-methoxy-4-prop-1-enylphenoxy)methyl]-1-prop-2-ynylbenzimidazole
SMILESC#CCn1c(COc2ccc(C=CC)cc2OC)nc2ccccc21
InChIInChI=1S/C21H20N2O2/c1-4-8-16-11-12-19(20(14-16)24-3)25-15-21-22-17-9-6-7-10-18(17)23(21)13-5-2/h2,4,6-12,14H,13,15H2,1,3H3
InChIKeyGTCVZWWYVUFYMB-UHFFFAOYSA-N
XLogP4.29
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-methoxy-4-prop-1-enylphenoxy)methyl]-1-methylbenzimidazole
CID 2991156
1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]-2-(naphthalen-2-yloxymethyl)benzimidazole
CID 16999294
1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]-2-(2-phenylethyl)benzimidazole
CID 16999516
2-[(2-chlorophenoxy)methyl]-1-prop-2-ynylbenzimidazole
CID 16997288
2-(phenoxymethyl)-1-prop-2-ynylbenzimidazole
CID 2992200
N-[[1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazol-2-yl]methyl]acetamide
CID 17005991
N-[3-[1-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]benzimidazol-2-yl]propyl]formamide
CID 2988717
2-[(4-chlorophenyl)methyl]-1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazole
CID 16995848
1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]-2-[(4-phenylphenyl)methyl]benzimidazole
CID 16987459
2-cyclopropyl-1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazole
CID 16996695
4-[[1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazol-2-yl]methyl]morpholine
CID 50744797
2-methoxy-N-[[1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazol-2-yl]methyl]acetamide
CID 17006614

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-4-prop-1-enylphenoxy)methyl]-1-prop-2-ynylbenzimidazole?
The IUPAC name of 2-[(2-methoxy-4-prop-1-enylphenoxy)methyl]-1-prop-2-ynylbenzimidazole (CID 2988325) is 2-[(2-methoxy-4-prop-1-enylphenoxy)methyl]-1-prop-2-ynylbenzimidazole.
What is the SMILES notation for 2-[(2-methoxy-4-prop-1-enylphenoxy)methyl]-1-prop-2-ynylbenzimidazole?
The canonical SMILES for 2-[(2-methoxy-4-prop-1-enylphenoxy)methyl]-1-prop-2-ynylbenzimidazole is C#CCn1c(COc2ccc(C=CC)cc2OC)nc2ccccc21.
What is the InChIKey of 2-[(2-methoxy-4-prop-1-enylphenoxy)methyl]-1-prop-2-ynylbenzimidazole?
The InChIKey is GTCVZWWYVUFYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-4-8-16-11-12-19(20(14-16)24-3)25-15-21-22-17-9-6-7-10-18(17)23(21)13-5-2/h2,4,6-12,14H,13,15H2,1,3H3.
What are the key properties of 2-[(2-methoxy-4-prop-1-enylphenoxy)methyl]-1-prop-2-ynylbenzimidazole?
2-[(2-methoxy-4-prop-1-enylphenoxy)methyl]-1-prop-2-ynylbenzimidazole has a molecular weight of 332.40 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-4-prop-1-enylphenoxy)methyl]-1-prop-2-ynylbenzimidazole is sourced from PubChem (CID 2988325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).