N-[[1-(3-oxobutan-2-yl)benzimidazol-2-yl]methyl]furan-2-carboxamide

C17H17N3O3 — CID 16973977

IUPACN-[[1-(3-oxobutan-2-yl)benzimidazol-2-yl]methyl]furan-2-carboxamide
SMILESCC(=O)C(C)n1c(CNC(=O)c2ccco2)nc2ccccc21
InChIInChI=1S/C17H17N3O3/c1-11(12(2)21)20-14-7-4-3-6-13(14)19-16(20)10-18-17(22)15-8-5-9-23-15/h3-9,11H,10H2,1-2H3,(H,18,22)
InChIKeyOGPNUWAVHFWBRZ-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.71
Rot. Bonds5

About N-[[1-(3-oxobutan-2-yl)benzimidazol-2-yl]methyl]furan-2-carboxamide

N-[[1-(3-oxobutan-2-yl)benzimidazol-2-yl]methyl]furan-2-carboxamide (PubChem CID 16973977) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-[[1-(3-oxobutan-2-yl)benzimidazol-2-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(3-oxobutan-2-yl)benzimidazol-2-yl]methyl]furan-2-carboxamide
PubChem CID16973977
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN-[[1-(3-oxobutan-2-yl)benzimidazol-2-yl]methyl]furan-2-carboxamide
SMILESCC(=O)C(C)n1c(CNC(=O)c2ccco2)nc2ccccc21
InChIInChI=1S/C17H17N3O3/c1-11(12(2)21)20-14-7-4-3-6-13(14)19-16(20)10-18-17(22)15-8-5-9-23-15/h3-9,11H,10H2,1-2H3,(H,18,22)
InChIKeyOGPNUWAVHFWBRZ-UHFFFAOYSA-N
XLogP2.71
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(3-oxobutan-2-yl)benzimidazol-2-yl]methyl]prop-2-enamide
CID 16972351
N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]furan-2-carboxamide
CID 16619678
4-chloro-N-[[1-(3-oxobutan-2-yl)benzimidazol-2-yl]methyl]benzamide
CID 17009138
3-(2-benzylbenzimidazol-1-yl)butan-2-one
CID 16995648
N-[[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide
CID 16973957
N-[[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide
CID 16973914
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
3-[2-(furan-2-yl)benzimidazol-1-yl]butan-2-one
CID 17000250
N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide
CID 751074
N-[[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide
CID 16619314
[1-(difluoromethyl)benzimidazol-2-yl]methyl (2S)-2-(furan-2-carbonylamino)propanoate
CID 32739273

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-oxobutan-2-yl)benzimidazol-2-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[1-(3-oxobutan-2-yl)benzimidazol-2-yl]methyl]furan-2-carboxamide (CID 16973977) is N-[[1-(3-oxobutan-2-yl)benzimidazol-2-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[1-(3-oxobutan-2-yl)benzimidazol-2-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[1-(3-oxobutan-2-yl)benzimidazol-2-yl]methyl]furan-2-carboxamide is CC(=O)C(C)n1c(CNC(=O)c2ccco2)nc2ccccc21.
What is the InChIKey of N-[[1-(3-oxobutan-2-yl)benzimidazol-2-yl]methyl]furan-2-carboxamide?
The InChIKey is OGPNUWAVHFWBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-11(12(2)21)20-14-7-4-3-6-13(14)19-16(20)10-18-17(22)15-8-5-9-23-15/h3-9,11H,10H2,1-2H3,(H,18,22).
What are the key properties of N-[[1-(3-oxobutan-2-yl)benzimidazol-2-yl]methyl]furan-2-carboxamide?
N-[[1-(3-oxobutan-2-yl)benzimidazol-2-yl]methyl]furan-2-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-oxobutan-2-yl)benzimidazol-2-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 16973977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).