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

C23H30N4O3 — CID 16973957

IUPACN-[[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide
SMILESCC(C)CN(CC(C)C)C(=O)Cn1c(CNC(=O)c2ccco2)nc2ccccc21
InChIInChI=1S/C23H30N4O3/c1-16(2)13-26(14-17(3)4)22(28)15-27-19-9-6-5-8-18(19)25-21(27)12-24-23(29)20-10-7-11-30-20/h5-11,16-17H,12-15H2,1-4H3,(H,24,29)
InChIKeyRRGMMRZJGRXYGJ-UHFFFAOYSA-N
MW410.52 g/mol
LogP3.70
Rot. Bonds9

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

N-[[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide (PubChem CID 16973957) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-[[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide
PubChem CID16973957
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC NameN-[[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide
SMILESCC(C)CN(CC(C)C)C(=O)Cn1c(CNC(=O)c2ccco2)nc2ccccc21
InChIInChI=1S/C23H30N4O3/c1-16(2)13-26(14-17(3)4)22(28)15-27-19-9-6-5-8-18(19)25-21(27)12-24-23(29)20-10-7-11-30-20/h5-11,16-17H,12-15H2,1-4H3,(H,24,29)
InChIKeyRRGMMRZJGRXYGJ-UHFFFAOYSA-N
XLogP3.70
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]furan-2-carboxamide
CID 16619678
N-[[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide
CID 16619314
2-(2-benzylbenzimidazol-1-yl)-N,N-bis(2-methylpropyl)acetamide
CID 16995629
N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16979038
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-[2-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16975559
N-[3-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]furan-2-carboxamide
CID 16982012
N-[[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-3,4,5-trimethoxybenzamide
CID 17008648
N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide
CID 16974826
N-[[1-(3-oxobutan-2-yl)benzimidazol-2-yl]methyl]furan-2-carboxamide
CID 16973977
N-[[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide
CID 16973914

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide (CID 16973957) is N-[[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide is CC(C)CN(CC(C)C)C(=O)Cn1c(CNC(=O)c2ccco2)nc2ccccc21.
What is the InChIKey of N-[[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide?
The InChIKey is RRGMMRZJGRXYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-16(2)13-26(14-17(3)4)22(28)15-27-19-9-6-5-8-18(19)25-21(27)12-24-23(29)20-10-7-11-30-20/h5-11,16-17H,12-15H2,1-4H3,(H,24,29).
What are the key properties of N-[[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide?
N-[[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide has a molecular weight of 410.52 g/mol, XLogP of 3.70, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 16973957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).