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

C18H21N3O2 — CID 16619678

IUPACN-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]furan-2-carboxamide
SMILESCC(C)CCn1c(CNC(=O)c2ccco2)nc2ccccc21
InChIInChI=1S/C18H21N3O2/c1-13(2)9-10-21-15-7-4-3-6-14(15)20-17(21)12-19-18(22)16-8-5-11-23-16/h3-8,11,13H,9-10,12H2,1-2H3,(H,19,22)
InChIKeyDFHDXDZNXOLZKI-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.61
Rot. Bonds6

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

N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]furan-2-carboxamide (PubChem CID 16619678) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]furan-2-carboxamide
PubChem CID16619678
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC NameN-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]furan-2-carboxamide
SMILESCC(C)CCn1c(CNC(=O)c2ccco2)nc2ccccc21
InChIInChI=1S/C18H21N3O2/c1-13(2)9-10-21-15-7-4-3-6-14(15)20-17(21)12-19-18(22)16-8-5-11-23-16/h3-8,11,13H,9-10,12H2,1-2H3,(H,19,22)
InChIKeyDFHDXDZNXOLZKI-UHFFFAOYSA-N
XLogP3.61
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-(3-oxobutan-2-yl)benzimidazol-2-yl]methyl]furan-2-carboxamide
CID 16973977
N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966506
N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-phenylpropanamide
CID 16970595
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-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide
CID 16619791
N-[[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide
CID 16619314
N-[3-(1-nonylbenzimidazol-2-yl)propyl]furan-2-carboxamide
CID 16981934
N-[2-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16975478
(Z)-N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide
CID 16970757

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]furan-2-carboxamide (CID 16619678) is N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]furan-2-carboxamide is CC(C)CCn1c(CNC(=O)c2ccco2)nc2ccccc21.
What is the InChIKey of N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]furan-2-carboxamide?
The InChIKey is DFHDXDZNXOLZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13(2)9-10-21-15-7-4-3-6-14(15)20-17(21)12-19-18(22)16-8-5-11-23-16/h3-8,11,13H,9-10,12H2,1-2H3,(H,19,22).
What are the key properties of N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]furan-2-carboxamide?
N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]furan-2-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 16619678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).