N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide

C21H26N4O3 — CID 16975540

IUPACN-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
SMILESCCCCN(C)C(=O)Cn1c(CCNC(=O)c2ccco2)nc2ccccc21
InChIInChI=1S/C21H26N4O3/c1-3-4-13-24(2)20(26)15-25-17-9-6-5-8-16(17)23-19(25)11-12-22-21(27)18-10-7-14-28-18/h5-10,14H,3-4,11-13,15H2,1-2H3,(H,22,27)
InChIKeyABTJJIDZDQBETJ-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.86
Rot. Bonds9

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

N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide (PubChem CID 16975540) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
PubChem CID16975540
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
SMILESCCCCN(C)C(=O)Cn1c(CCNC(=O)c2ccco2)nc2ccccc21
InChIInChI=1S/C21H26N4O3/c1-3-4-13-24(2)20(26)15-25-17-9-6-5-8-16(17)23-19(25)11-12-22-21(27)18-10-7-14-28-18/h5-10,14H,3-4,11-13,15H2,1-2H3,(H,22,27)
InChIKeyABTJJIDZDQBETJ-UHFFFAOYSA-N
XLogP2.86
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide
CID 16619314
N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16979039
N-[2-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16975559
N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]butanamide
CID 16974512
N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide
CID 16974938
N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide
CID 16976315
N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide
CID 16976477
N-[3-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-ethylbutanamide
CID 16981083
N-[3-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]furan-2-carboxamide
CID 16982012
N-butyl-2-[2-(2-hydroxyethyl)benzimidazol-1-yl]-N-methylacetamide
CID 19242365
N-[3-(1-nonylbenzimidazol-2-yl)propyl]furan-2-carboxamide
CID 16981934
N-[5-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide
CID 16994750

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide (CID 16975540) is N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide is CCCCN(C)C(=O)Cn1c(CCNC(=O)c2ccco2)nc2ccccc21.
What is the InChIKey of N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide?
The InChIKey is ABTJJIDZDQBETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-3-4-13-24(2)20(26)15-25-17-9-6-5-8-16(17)23-19(25)11-12-22-21(27)18-10-7-14-28-18/h5-10,14H,3-4,11-13,15H2,1-2H3,(H,22,27).
What are the key properties of N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide?
N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 2.86, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 16975540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).