N-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]methyl]furan-2-carboxamide

C19H20N4O3 — CID 16973964

IUPACN-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]methyl]furan-2-carboxamide
SMILESO=C(NCc1nc2ccccc2n1CC(=O)N1CCCC1)c1ccco1
InChIInChI=1S/C19H20N4O3/c24-18(22-9-3-4-10-22)13-23-15-7-2-1-6-14(15)21-17(23)12-20-19(25)16-8-5-11-26-16/h1-2,5-8,11H,3-4,9-10,12-13H2,(H,20,25)
InChIKeyXBKFXQFNKGVWQN-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.18
Rot. Bonds5

About N-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]methyl]furan-2-carboxamide

N-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]methyl]furan-2-carboxamide (PubChem CID 16973964) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]methyl]furan-2-carboxamide
PubChem CID16973964
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC NameN-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]methyl]furan-2-carboxamide
SMILESO=C(NCc1nc2ccccc2n1CC(=O)N1CCCC1)c1ccco1
InChIInChI=1S/C19H20N4O3/c24-18(22-9-3-4-10-22)13-23-15-7-2-1-6-14(15)21-17(23)12-20-19(25)16-8-5-11-26-16/h1-2,5-8,11H,3-4,9-10,12-13H2,(H,20,25)
InChIKeyXBKFXQFNKGVWQN-UHFFFAOYSA-N
XLogP2.18
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]pentyl]furan-2-carboxamide
CID 16994757
N-[5-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pentyl]furan-2-carboxamide
CID 16994758
N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17006753
N-[[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide
CID 17029255
N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-chlorobenzamide
CID 17007549
N-[[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]methyl]acetamide
CID 17006020
N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966639
N-[[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide
CID 16973957
N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]furan-2-carboxamide
CID 16619678
2-(2-benzylbenzimidazol-1-yl)-1-pyrrolidin-1-ylethanone
CID 16995636
N-[[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide
CID 16619314
(Z)-N-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide
CID 16970891

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]methyl]furan-2-carboxamide (CID 16973964) is N-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]methyl]furan-2-carboxamide is O=C(NCc1nc2ccccc2n1CC(=O)N1CCCC1)c1ccco1.
What is the InChIKey of N-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]methyl]furan-2-carboxamide?
The InChIKey is XBKFXQFNKGVWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c24-18(22-9-3-4-10-22)13-23-15-7-2-1-6-14(15)21-17(23)12-20-19(25)16-8-5-11-26-16/h1-2,5-8,11H,3-4,9-10,12-13H2,(H,20,25).
What are the key properties of N-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]methyl]furan-2-carboxamide?
N-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]methyl]furan-2-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 16973964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).