N,N-di(butan-2-yl)-2-[2-[(E)-2-(furan-2-yl)ethenyl]benzimidazol-1-yl]acetamide

C23H29N3O2 — CID 17000002

IUPACN,N-di(butan-2-yl)-2-[2-[(E)-2-(furan-2-yl)ethenyl]benzimidazol-1-yl]acetamide
SMILESCCC(C)N(C(=O)Cn1c(/C=C/c2ccco2)nc2ccccc21)C(C)CC
InChIInChI=1S/C23H29N3O2/c1-5-17(3)26(18(4)6-2)23(27)16-25-21-12-8-7-11-20(21)24-22(25)14-13-19-10-9-15-28-19/h7-15,17-18H,5-6,16H2,1-4H3/b14-13+
InChIKeyROSWVVSITDZRJA-BUHFOSPRSA-N
MW379.50 g/mol
LogP5.23
Rot. Bonds8

About N,N-di(butan-2-yl)-2-[2-[(E)-2-(furan-2-yl)ethenyl]benzimidazol-1-yl]acetamide

N,N-di(butan-2-yl)-2-[2-[(E)-2-(furan-2-yl)ethenyl]benzimidazol-1-yl]acetamide (PubChem CID 17000002) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N,N-di(butan-2-yl)-2-[2-[(E)-2-(furan-2-yl)ethenyl]benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN,N-di(butan-2-yl)-2-[2-[(E)-2-(furan-2-yl)ethenyl]benzimidazol-1-yl]acetamide
PubChem CID17000002
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN,N-di(butan-2-yl)-2-[2-[(E)-2-(furan-2-yl)ethenyl]benzimidazol-1-yl]acetamide
SMILESCCC(C)N(C(=O)Cn1c(/C=C/c2ccco2)nc2ccccc21)C(C)CC
InChIInChI=1S/C23H29N3O2/c1-5-17(3)26(18(4)6-2)23(27)16-25-21-12-8-7-11-20(21)24-22(25)14-13-19-10-9-15-28-19/h7-15,17-18H,5-6,16H2,1-4H3/b14-13+
InChIKeyROSWVVSITDZRJA-BUHFOSPRSA-N
XLogP5.23
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.50
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-di(butan-2-yl)-2-[2-[(E)-2-(furan-2-yl)ethenyl]benzimidazol-1-yl]acetamide 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

2-[(E)-2-(furan-2-yl)ethenyl]-1-(3-methylbutyl)benzimidazole
CID 7574428
2-[(E)-2-(furan-2-yl)ethenyl]-1-undecylbenzimidazole
CID 16999879
N,N-di(butan-2-yl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
CID 16995334
2-[2-(furan-2-yl)ethenyl]-1-prop-2-enylbenzimidazole
CID 3162026
N-[2-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16975559
N-[1-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
CID 16969456
2-[(E)-2-(furan-2-yl)ethenyl]-1-[(4-methylphenyl)methyl]benzimidazole
CID 6155001
1-[3-(4-butan-2-ylphenoxy)propyl]-2-[(E)-2-(furan-2-yl)ethenyl]benzimidazole
CID 16999945
2-[2-(furan-2-yl)ethenyl]-1-methylbenzimidazole
CID 2871543
2-[(E)-2-(furan-2-yl)ethenyl]-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole
CID 16999930
3-ethyl-2-[(E)-2-(furan-2-yl)ethenyl]quinazolin-4-one
CID 5377736
2-[(E)-2-(furan-2-yl)ethenyl]-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole
CID 16999920

Frequently Asked Questions

What is the IUPAC name of N,N-di(butan-2-yl)-2-[2-[(E)-2-(furan-2-yl)ethenyl]benzimidazol-1-yl]acetamide?
The IUPAC name of N,N-di(butan-2-yl)-2-[2-[(E)-2-(furan-2-yl)ethenyl]benzimidazol-1-yl]acetamide (CID 17000002) is N,N-di(butan-2-yl)-2-[2-[(E)-2-(furan-2-yl)ethenyl]benzimidazol-1-yl]acetamide.
What is the SMILES notation for N,N-di(butan-2-yl)-2-[2-[(E)-2-(furan-2-yl)ethenyl]benzimidazol-1-yl]acetamide?
The canonical SMILES for N,N-di(butan-2-yl)-2-[2-[(E)-2-(furan-2-yl)ethenyl]benzimidazol-1-yl]acetamide is CCC(C)N(C(=O)Cn1c(/C=C/c2ccco2)nc2ccccc21)C(C)CC.
What is the InChIKey of N,N-di(butan-2-yl)-2-[2-[(E)-2-(furan-2-yl)ethenyl]benzimidazol-1-yl]acetamide?
The InChIKey is ROSWVVSITDZRJA-BUHFOSPRSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-5-17(3)26(18(4)6-2)23(27)16-25-21-12-8-7-11-20(21)24-22(25)14-13-19-10-9-15-28-19/h7-15,17-18H,5-6,16H2,1-4H3/b14-13+.
What are the key properties of N,N-di(butan-2-yl)-2-[2-[(E)-2-(furan-2-yl)ethenyl]benzimidazol-1-yl]acetamide?
N,N-di(butan-2-yl)-2-[2-[(E)-2-(furan-2-yl)ethenyl]benzimidazol-1-yl]acetamide has a molecular weight of 379.50 g/mol, XLogP of 5.23, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(butan-2-yl)-2-[2-[(E)-2-(furan-2-yl)ethenyl]benzimidazol-1-yl]acetamide is sourced from PubChem (CID 17000002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).