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

C20H24N4O3 — CID 16619314

IUPACN-[[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide
SMILESCCCCN(C)C(=O)Cn1c(CNC(=O)c2ccco2)nc2ccccc21
InChIInChI=1S/C20H24N4O3/c1-3-4-11-23(2)19(25)14-24-16-9-6-5-8-15(16)22-18(24)13-21-20(26)17-10-7-12-27-17/h5-10,12H,3-4,11,13-14H2,1-2H3,(H,21,26)
InChIKeyFYCCYJPAVBRJOD-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.82
Rot. Bonds8

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

N-[[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide (PubChem CID 16619314) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide
PubChem CID16619314
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-[[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide
SMILESCCCCN(C)C(=O)Cn1c(CNC(=O)c2ccco2)nc2ccccc21
InChIInChI=1S/C20H24N4O3/c1-3-4-11-23(2)19(25)14-24-16-9-6-5-8-15(16)22-18(24)13-21-20(26)17-10-7-12-27-17/h5-10,12H,3-4,11,13-14H2,1-2H3,(H,21,26)
InChIKeyFYCCYJPAVBRJOD-UHFFFAOYSA-N
XLogP2.82
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16975540
N-[[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide
CID 16973957
N-butyl-2-(2-ethylbenzimidazol-1-yl)-N-methylacetamide
CID 16996476
N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16979039
N-[3-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-ethylbutanamide
CID 16981083
N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide
CID 16974938
N-butyl-2-[2-(2-hydroxyethyl)benzimidazol-1-yl]-N-methylacetamide
CID 19242365
N-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]methyl]furan-2-carboxamide
CID 16973964
N-[[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide
CID 17029255
N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]furan-2-carboxamide
CID 16619678
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]furan-2-carboxamide
CID 16975559

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide (CID 16619314) is N-[[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide is CCCCN(C)C(=O)Cn1c(CNC(=O)c2ccco2)nc2ccccc21.
What is the InChIKey of N-[[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide?
The InChIKey is FYCCYJPAVBRJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-3-4-11-23(2)19(25)14-24-16-9-6-5-8-15(16)22-18(24)13-21-20(26)17-10-7-12-27-17/h5-10,12H,3-4,11,13-14H2,1-2H3,(H,21,26).
What are the key properties of N-[[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide?
N-[[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 16619314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).