2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide

C24H27N3O3 — CID 16996037

IUPAC2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)Cn1c(Cc2ccc(OC)c(OC)c2)nc2ccccc21
InChIInChI=1S/C24H27N3O3/c1-5-13-26(14-6-2)24(28)17-27-20-10-8-7-9-19(20)25-23(27)16-18-11-12-21(29-3)22(15-18)30-4/h5-12,15H,1-2,13-14,16-17H2,3-4H3
InChIKeyIJEZVYJCBXRVCK-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.84
Rot. Bonds10

About 2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide

2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide (PubChem CID 16996037) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide.

Molecular Properties

Compound Name2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide
PubChem CID16996037
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)Cn1c(Cc2ccc(OC)c(OC)c2)nc2ccccc21
InChIInChI=1S/C24H27N3O3/c1-5-13-26(14-6-2)24(28)17-27-20-10-8-7-9-19(20)25-23(27)16-18-11-12-21(29-3)22(15-18)30-4/h5-12,15H,1-2,13-14,16-17H2,3-4H3
InChIKeyIJEZVYJCBXRVCK-UHFFFAOYSA-N
XLogP3.84
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(3-methoxyphenoxy)methyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 16998161
2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-(3,5-dimethylphenyl)acetamide
CID 17032658
2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 17032665
2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-[(3,4-dimethoxyphenyl)methylideneamino]acetamide
CID 3721695
2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-(4-methylphenyl)acetamide
CID 17032647
2-[2-[(2,5-dimethylphenoxy)methyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 16998040
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 17474837
2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 16998268
2-[(3,4-dimethoxyphenyl)methyl]-1-octadecylbenzimidazole
CID 18878488
2-[(3,4-dimethoxyphenyl)methyl]-1-octylbenzimidazole
CID 18878494
2-[2-[(5-methyl-2-propan-2-ylphenoxy)methyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 16997668
2-(3,4-dimethoxyphenyl)-N,N-bis(prop-2-enyl)acetamide
CID 720349

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide?
The IUPAC name of 2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide (CID 16996037) is 2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide.
What is the SMILES notation for 2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide?
The canonical SMILES for 2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide is C=CCN(CC=C)C(=O)Cn1c(Cc2ccc(OC)c(OC)c2)nc2ccccc21.
What is the InChIKey of 2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide?
The InChIKey is IJEZVYJCBXRVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-5-13-26(14-6-2)24(28)17-27-20-10-8-7-9-19(20)25-23(27)16-18-11-12-21(29-3)22(15-18)30-4/h5-12,15H,1-2,13-14,16-17H2,3-4H3.
What are the key properties of 2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide?
2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide has a molecular weight of 405.50 g/mol, XLogP of 3.84, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide is sourced from PubChem (CID 16996037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).