N-[2-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide

C24H32N4O3 — CID 16975559

IUPACN-[2-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
SMILESCCC(C)N(C(=O)Cn1c(CCNC(=O)c2ccco2)nc2ccccc21)C(C)CC
InChIInChI=1S/C24H32N4O3/c1-5-17(3)28(18(4)6-2)23(29)16-27-20-11-8-7-10-19(20)26-22(27)13-14-25-24(30)21-12-9-15-31-21/h7-12,15,17-18H,5-6,13-14,16H2,1-4H3,(H,25,30)
InChIKeyTWDSTLJHXZBIKF-UHFFFAOYSA-N
MW424.55 g/mol
LogP4.03
Rot. Bonds10

About N-[2-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide

N-[2-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide (PubChem CID 16975559) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is N-[2-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
PubChem CID16975559
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC NameN-[2-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
SMILESCCC(C)N(C(=O)Cn1c(CCNC(=O)c2ccco2)nc2ccccc21)C(C)CC
InChIInChI=1S/C24H32N4O3/c1-5-17(3)28(18(4)6-2)23(29)16-27-20-11-8-7-10-19(20)26-22(27)13-14-25-24(30)21-12-9-15-31-21/h7-12,15,17-18H,5-6,13-14,16H2,1-4H3,(H,25,30)
InChIKeyTWDSTLJHXZBIKF-UHFFFAOYSA-N
XLogP4.03
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-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-[3-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]furan-2-carboxamide
CID 16982012
N-[2-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16976021
N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16975540
2-(4-chlorophenyl)-N-[2-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979546
N-[5-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide
CID 16994750
N-[[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide
CID 16973957
N-[3-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methylbenzamide
CID 16984403
N-[2-[1-[2-(cyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 17030610
N-[2-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16975480
2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N,N-di(butan-2-yl)acetamide
CID 16987966
methyl 2-[2-[3-(furan-2-carbonylamino)propyl]benzimidazol-1-yl]acetate
CID 16982030
N-[3-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-(4-phenylphenyl)acetamide
CID 16985986

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide (CID 16975559) is N-[2-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide is CCC(C)N(C(=O)Cn1c(CCNC(=O)c2ccco2)nc2ccccc21)C(C)CC.
What is the InChIKey of N-[2-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide?
The InChIKey is TWDSTLJHXZBIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-5-17(3)28(18(4)6-2)23(29)16-27-20-11-8-7-10-19(20)26-22(27)13-14-25-24(30)21-12-9-15-31-21/h7-12,15,17-18H,5-6,13-14,16H2,1-4H3,(H,25,30).
What are the key properties of N-[2-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide?
N-[2-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide has a molecular weight of 424.55 g/mol, XLogP of 4.03, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 16975559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).