2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide

C23H25N3O2 — CID 16998268

IUPAC2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)Cn1c(COc2ccc(C)cc2)nc2ccccc21
InChIInChI=1S/C23H25N3O2/c1-4-14-25(15-5-2)23(27)16-26-21-9-7-6-8-20(21)24-22(26)17-28-19-12-10-18(3)11-13-19/h4-13H,1-2,14-17H2,3H3
InChIKeyQOZFVFQCQOKKJK-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.12
Rot. Bonds9

About 2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide

2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide (PubChem CID 16998268) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide.

Molecular Properties

Compound Name2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide
PubChem CID16998268
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)Cn1c(COc2ccc(C)cc2)nc2ccccc21
InChIInChI=1S/C23H25N3O2/c1-4-14-25(15-5-2)23(27)16-26-21-9-7-6-8-20(21)24-22(26)17-28-19-12-10-18(3)11-13-19/h4-13H,1-2,14-17H2,3H3
InChIKeyQOZFVFQCQOKKJK-UHFFFAOYSA-N
XLogP4.12
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(2,5-dimethylphenoxy)methyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 16998040
2-[2-[(3-methoxyphenoxy)methyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 16998161
2-[2-[(5-methyl-2-propan-2-ylphenoxy)methyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 16997668
4-[[1-[2-(4-methylphenyl)-2-oxoethyl]benzimidazol-2-yl]methoxy]benzoic acid
CID 142221139
2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 17032004
2-[2-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 16978893
2-[2-[[[2-(2,5-dimethylphenoxy)acetyl]amino]methyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 16971361
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 34804322
N,N-bis(2-methylpropyl)-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]acetamide
CID 16999311
2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 16996037
N-[2-[1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]butanamide
CID 16974510
4-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]butan-1-amine
CID 94747495

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide?
The IUPAC name of 2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide (CID 16998268) is 2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide.
What is the SMILES notation for 2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide?
The canonical SMILES for 2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide is C=CCN(CC=C)C(=O)Cn1c(COc2ccc(C)cc2)nc2ccccc21.
What is the InChIKey of 2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide?
The InChIKey is QOZFVFQCQOKKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-4-14-25(15-5-2)23(27)16-26-21-9-7-6-8-20(21)24-22(26)17-28-19-12-10-18(3)11-13-19/h4-13H,1-2,14-17H2,3H3.
What are the key properties of 2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide?
2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide has a molecular weight of 375.47 g/mol, XLogP of 4.12, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide is sourced from PubChem (CID 16998268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).