5-tert-butyl-2-methyl-N-(6-morpholin-4-yl-2-oxo-1,3-dihydrobenzimidazol-5-yl)furan-3-carboxamide

C21H26N4O4 — CID 59980619

IUPAC5-tert-butyl-2-methyl-N-(6-morpholin-4-yl-2-oxo-1,3-dihydrobenzimidazol-5-yl)furan-3-carboxamide
SMILESCc1oc(C(C)(C)C)cc1C(=O)Nc1cc2[nH]c(=O)[nH]c2cc1N1CCOCC1
InChIInChI=1S/C21H26N4O4/c1-12-13(9-18(29-12)21(2,3)4)19(26)22-16-10-14-15(24-20(27)23-14)11-17(16)25-5-7-28-8-6-25/h9-11H,5-8H2,1-4H3,(H,22,26)(H2,23,24,27)
InChIKeyGJHLPUMHYLAODB-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.14
Rot. Bonds3

About 5-tert-butyl-2-methyl-N-(6-morpholin-4-yl-2-oxo-1,3-dihydrobenzimidazol-5-yl)furan-3-carboxamide

5-tert-butyl-2-methyl-N-(6-morpholin-4-yl-2-oxo-1,3-dihydrobenzimidazol-5-yl)furan-3-carboxamide (PubChem CID 59980619) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is 5-tert-butyl-2-methyl-N-(6-morpholin-4-yl-2-oxo-1,3-dihydrobenzimidazol-5-yl)furan-3-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-2-methyl-N-(6-morpholin-4-yl-2-oxo-1,3-dihydrobenzimidazol-5-yl)furan-3-carboxamide
PubChem CID59980619
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC Name5-tert-butyl-2-methyl-N-(6-morpholin-4-yl-2-oxo-1,3-dihydrobenzimidazol-5-yl)furan-3-carboxamide
SMILESCc1oc(C(C)(C)C)cc1C(=O)Nc1cc2[nH]c(=O)[nH]c2cc1N1CCOCC1
InChIInChI=1S/C21H26N4O4/c1-12-13(9-18(29-12)21(2,3)4)19(26)22-16-10-14-15(24-20(27)23-14)11-17(16)25-5-7-28-8-6-25/h9-11H,5-8H2,1-4H3,(H,22,26)(H2,23,24,27)
InChIKeyGJHLPUMHYLAODB-UHFFFAOYSA-N
XLogP3.14
TPSA103.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-morpholin-4-ylphenyl)-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide
CID 110701288
N-(3-chloro-4-morpholin-4-ylphenyl)-2,5-dimethylfuran-3-carboxamide
CID 2811743
N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)-4-piperidin-1-ylbenzamide
CID 131897591
5-tert-butyl-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-methylfuran-3-carboxamide
CID 748446
5-[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]-2-hydroxybenzoic acid
CID 788752
3-[(4-methylbenzoyl)amino]-4-morpholin-4-ylbenzoic acid
CID 53052846
3-oxo-N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)-4H-1,4-benzoxazine-7-carboxamide
CID 131946239
2-methyl-N-(2-morpholin-4-ylphenyl)-1H-indole-5-carboxamide
CID 110695108
2-(aminomethyl)-N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)-1,3-oxazole-4-carboxamide
CID 131929514
N-(5-fluoro-2-morpholin-4-ylphenyl)-2-methylbenzamide
CID 113092681
N-(5-bromo-2-morpholin-4-ylphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 55363784
N-(5-fluoro-2-morpholin-4-ylphenyl)-2,2-dimethylpropanamide
CID 113092676

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-methyl-N-(6-morpholin-4-yl-2-oxo-1,3-dihydrobenzimidazol-5-yl)furan-3-carboxamide?
The IUPAC name of 5-tert-butyl-2-methyl-N-(6-morpholin-4-yl-2-oxo-1,3-dihydrobenzimidazol-5-yl)furan-3-carboxamide (CID 59980619) is 5-tert-butyl-2-methyl-N-(6-morpholin-4-yl-2-oxo-1,3-dihydrobenzimidazol-5-yl)furan-3-carboxamide.
What is the SMILES notation for 5-tert-butyl-2-methyl-N-(6-morpholin-4-yl-2-oxo-1,3-dihydrobenzimidazol-5-yl)furan-3-carboxamide?
The canonical SMILES for 5-tert-butyl-2-methyl-N-(6-morpholin-4-yl-2-oxo-1,3-dihydrobenzimidazol-5-yl)furan-3-carboxamide is Cc1oc(C(C)(C)C)cc1C(=O)Nc1cc2[nH]c(=O)[nH]c2cc1N1CCOCC1.
What is the InChIKey of 5-tert-butyl-2-methyl-N-(6-morpholin-4-yl-2-oxo-1,3-dihydrobenzimidazol-5-yl)furan-3-carboxamide?
The InChIKey is GJHLPUMHYLAODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-12-13(9-18(29-12)21(2,3)4)19(26)22-16-10-14-15(24-20(27)23-14)11-17(16)25-5-7-28-8-6-25/h9-11H,5-8H2,1-4H3,(H,22,26)(H2,23,24,27).
What are the key properties of 5-tert-butyl-2-methyl-N-(6-morpholin-4-yl-2-oxo-1,3-dihydrobenzimidazol-5-yl)furan-3-carboxamide?
5-tert-butyl-2-methyl-N-(6-morpholin-4-yl-2-oxo-1,3-dihydrobenzimidazol-5-yl)furan-3-carboxamide has a molecular weight of 398.46 g/mol, XLogP of 3.14, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-methyl-N-(6-morpholin-4-yl-2-oxo-1,3-dihydrobenzimidazol-5-yl)furan-3-carboxamide is sourced from PubChem (CID 59980619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).