N-(2-tert-butyl-3H-benzimidazol-5-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide

C21H24N4O3 — CID 53369047

IUPACN-(2-tert-butyl-3H-benzimidazol-5-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)(C)c1nc2ccc(NC(=O)C3CC(=O)N(Cc4ccco4)C3)cc2[nH]1
InChIInChI=1S/C21H24N4O3/c1-21(2,3)20-23-16-7-6-14(10-17(16)24-20)22-19(27)13-9-18(26)25(11-13)12-15-5-4-8-28-15/h4-8,10,13H,9,11-12H2,1-3H3,(H,22,27)(H,23,24)
InChIKeyCBKUMTUIPFVFDJ-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.44
Rot. Bonds4

About N-(2-tert-butyl-3H-benzimidazol-5-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide

N-(2-tert-butyl-3H-benzimidazol-5-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 53369047) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-(2-tert-butyl-3H-benzimidazol-5-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butyl-3H-benzimidazol-5-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID53369047
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-(2-tert-butyl-3H-benzimidazol-5-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)(C)c1nc2ccc(NC(=O)C3CC(=O)N(Cc4ccco4)C3)cc2[nH]1
InChIInChI=1S/C21H24N4O3/c1-21(2,3)20-23-16-7-6-14(10-17(16)24-20)22-19(27)13-9-18(26)25(11-13)12-15-5-4-8-28-15/h4-8,10,13H,9,11-12H2,1-3H3,(H,22,27)(H,23,24)
InChIKeyCBKUMTUIPFVFDJ-UHFFFAOYSA-N
XLogP3.44
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 18077896
N-(3-acetamidophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 51149894
(3R)-N-(4-fluorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 6931900
N-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 42909280
(3S)-N-(4-bromo-3-methylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 9095963
(3R)-1-(furan-2-ylmethyl)-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 39314628
N-[4-(tert-butylcarbamoyl)phenyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 55549537
(3R)-N-(4-tert-butyl-1,3-thiazol-2-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 51968878
N-(3,5-dichlorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 55341921
N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 51189228
N-(4-carbamoylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 17390517
1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47099759

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-3H-benzimidazol-5-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2-tert-butyl-3H-benzimidazol-5-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide (CID 53369047) is N-(2-tert-butyl-3H-benzimidazol-5-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-tert-butyl-3H-benzimidazol-5-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-tert-butyl-3H-benzimidazol-5-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide is CC(C)(C)c1nc2ccc(NC(=O)C3CC(=O)N(Cc4ccco4)C3)cc2[nH]1.
What is the InChIKey of N-(2-tert-butyl-3H-benzimidazol-5-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is CBKUMTUIPFVFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-21(2,3)20-23-16-7-6-14(10-17(16)24-20)22-19(27)13-9-18(26)25(11-13)12-15-5-4-8-28-15/h4-8,10,13H,9,11-12H2,1-3H3,(H,22,27)(H,23,24).
What are the key properties of N-(2-tert-butyl-3H-benzimidazol-5-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
N-(2-tert-butyl-3H-benzimidazol-5-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-3H-benzimidazol-5-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 53369047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).