6-acetamido-3-ethyl-2-(3-methoxyphenyl)-N,N-bis(prop-2-enyl)benzimidazole-4-carboxamide

C25H28N4O3 — CID 42170463

IUPAC6-acetamido-3-ethyl-2-(3-methoxyphenyl)-N,N-bis(prop-2-enyl)benzimidazole-4-carboxamide
SMILESC=CCN(CC=C)C(=O)c1cc(NC(C)=O)cc2nc(-c3cccc(OC)c3)n(CC)c12
InChIInChI=1S/C25H28N4O3/c1-6-12-28(13-7-2)25(31)21-15-19(26-17(4)30)16-22-23(21)29(8-3)24(27-22)18-10-9-11-20(14-18)32-5/h6-7,9-11,14-16H,1-2,8,12-13H2,3-5H3,(H,26,30)
InChIKeyWJPKIOMTHKDSGP-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.50
Rot. Bonds9

About 6-acetamido-3-ethyl-2-(3-methoxyphenyl)-N,N-bis(prop-2-enyl)benzimidazole-4-carboxamide

6-acetamido-3-ethyl-2-(3-methoxyphenyl)-N,N-bis(prop-2-enyl)benzimidazole-4-carboxamide (PubChem CID 42170463) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is 6-acetamido-3-ethyl-2-(3-methoxyphenyl)-N,N-bis(prop-2-enyl)benzimidazole-4-carboxamide.

Molecular Properties

Compound Name6-acetamido-3-ethyl-2-(3-methoxyphenyl)-N,N-bis(prop-2-enyl)benzimidazole-4-carboxamide
PubChem CID42170463
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name6-acetamido-3-ethyl-2-(3-methoxyphenyl)-N,N-bis(prop-2-enyl)benzimidazole-4-carboxamide
SMILESC=CCN(CC=C)C(=O)c1cc(NC(C)=O)cc2nc(-c3cccc(OC)c3)n(CC)c12
InChIInChI=1S/C25H28N4O3/c1-6-12-28(13-7-2)25(31)21-15-19(26-17(4)30)16-22-23(21)29(8-3)24(27-22)18-10-9-11-20(14-18)32-5/h6-7,9-11,14-16H,1-2,8,12-13H2,3-5H3,(H,26,30)
InChIKeyWJPKIOMTHKDSGP-UHFFFAOYSA-N
XLogP4.50
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-acetamido-3-ethyl-2-(3-methoxyphenyl)-N,N-bis(prop-2-enyl)benzimidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-ethyl-2-(3-methoxyphenyl)-7-(4-propylpiperazine-1-carbonyl)benzimidazol-5-yl]acetamide
CID 26400629
N,N-diethyl-2-[2-(3-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17001793
N-(4-methoxyphenyl)-2-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3960106
2-[2-(3-methoxyphenyl)benzimidazol-1-yl]-N-propylacetamide
CID 17032912
methyl 2-[[4-ethyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 6467002
N-[3-[4-ethyl-5-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]acetamide
CID 8708121
2-[2-(3-methoxyphenyl)benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 17001797
2-bromo-5-methoxy-N,N-bis(prop-2-enyl)benzamide
CID 60636105
N-[3-[1-[3-[2-(3-methoxyphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
CID 25116307
6-acetamido-3-ethyl-2-(2-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]benzimidazole-4-carboxamide
CID 28738928
5-[[2-[[4-ethyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzene-1,3-dicarboxamide
CID 2563699
2-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
CID 19730688

Frequently Asked Questions

What is the IUPAC name of 6-acetamido-3-ethyl-2-(3-methoxyphenyl)-N,N-bis(prop-2-enyl)benzimidazole-4-carboxamide?
The IUPAC name of 6-acetamido-3-ethyl-2-(3-methoxyphenyl)-N,N-bis(prop-2-enyl)benzimidazole-4-carboxamide (CID 42170463) is 6-acetamido-3-ethyl-2-(3-methoxyphenyl)-N,N-bis(prop-2-enyl)benzimidazole-4-carboxamide.
What is the SMILES notation for 6-acetamido-3-ethyl-2-(3-methoxyphenyl)-N,N-bis(prop-2-enyl)benzimidazole-4-carboxamide?
The canonical SMILES for 6-acetamido-3-ethyl-2-(3-methoxyphenyl)-N,N-bis(prop-2-enyl)benzimidazole-4-carboxamide is C=CCN(CC=C)C(=O)c1cc(NC(C)=O)cc2nc(-c3cccc(OC)c3)n(CC)c12.
What is the InChIKey of 6-acetamido-3-ethyl-2-(3-methoxyphenyl)-N,N-bis(prop-2-enyl)benzimidazole-4-carboxamide?
The InChIKey is WJPKIOMTHKDSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-6-12-28(13-7-2)25(31)21-15-19(26-17(4)30)16-22-23(21)29(8-3)24(27-22)18-10-9-11-20(14-18)32-5/h6-7,9-11,14-16H,1-2,8,12-13H2,3-5H3,(H,26,30).
What are the key properties of 6-acetamido-3-ethyl-2-(3-methoxyphenyl)-N,N-bis(prop-2-enyl)benzimidazole-4-carboxamide?
6-acetamido-3-ethyl-2-(3-methoxyphenyl)-N,N-bis(prop-2-enyl)benzimidazole-4-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 4.50, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-3-ethyl-2-(3-methoxyphenyl)-N,N-bis(prop-2-enyl)benzimidazole-4-carboxamide is sourced from PubChem (CID 42170463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).