(3R)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide

C19H20N4O3 — CID 96520264

IUPAC(3R)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESC[C@@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1nc2ccccc2[nH]1
InChIInChI=1S/C19H20N4O3/c1-12(18-21-15-6-2-3-7-16(15)22-18)20-19(25)13-9-17(24)23(10-13)11-14-5-4-8-26-14/h2-8,12-13H,9-11H2,1H3,(H,20,25)(H,21,22)/t12-,13-/m1/s1
InChIKeyCJIJWYKCUNUQPM-CHWSQXEVSA-N
MW352.39 g/mol
LogP2.38
Rot. Bonds5

About (3R)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 96520264) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is (3R)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID96520264
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name(3R)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESC[C@@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1nc2ccccc2[nH]1
InChIInChI=1S/C19H20N4O3/c1-12(18-21-15-6-2-3-7-16(15)22-18)20-19(25)13-9-17(24)23(10-13)11-14-5-4-8-26-14/h2-8,12-13H,9-11H2,1H3,(H,20,25)(H,21,22)/t12-,13-/m1/s1
InChIKeyCJIJWYKCUNUQPM-CHWSQXEVSA-N
XLogP2.38
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 9113859
N-(1H-benzimidazol-2-ylmethyl)-1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 55683049
1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47099759
4-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 51270023
(2S)-2-[[(3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid
CID 124701749
(4S)-4-(1H-benzimidazol-2-yl)-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 40712600
methyl (2R,3S)-3-[[(3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoate
CID 100900759
N-[1-(1-adamantyl)ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 42904565
(3R)-N-(1,3-benzothiazol-2-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 8882067
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 55715320
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 46597252
N-(2-tert-butyl-3H-benzimidazol-5-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 53369047

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide (CID 96520264) is (3R)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide is C[C@@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1nc2ccccc2[nH]1.
What is the InChIKey of (3R)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is CJIJWYKCUNUQPM-CHWSQXEVSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-12(18-21-15-6-2-3-7-16(15)22-18)20-19(25)13-9-17(24)23(10-13)11-14-5-4-8-26-14/h2-8,12-13H,9-11H2,1H3,(H,20,25)(H,21,22)/t12-,13-/m1/s1.
What are the key properties of (3R)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 96520264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).