2-[(4-tert-butylphenyl)methyl-methylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide

C22H28N4O2 — CID 45281424

IUPAC2-[(4-tert-butylphenyl)methyl-methylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
SMILESCC(C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N(C)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H28N4O2/c1-14(26(5)13-15-6-8-16(9-7-15)22(2,3)4)20(27)23-17-10-11-18-19(12-17)25-21(28)24-18/h6-12,14H,13H2,1-5H3,(H,23,27)(H2,24,25,28)
InChIKeySPIZUQUKCOMPKG-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.61
Rot. Bonds5

About 2-[(4-tert-butylphenyl)methyl-methylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide

2-[(4-tert-butylphenyl)methyl-methylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide (PubChem CID 45281424) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-[(4-tert-butylphenyl)methyl-methylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide.

Molecular Properties

Compound Name2-[(4-tert-butylphenyl)methyl-methylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
PubChem CID45281424
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name2-[(4-tert-butylphenyl)methyl-methylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
SMILESCC(C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N(C)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H28N4O2/c1-14(26(5)13-15-6-8-16(9-7-15)22(2,3)4)20(27)23-17-10-11-18-19(12-17)25-21(28)24-18/h6-12,14H,13H2,1-5H3,(H,23,27)(H2,24,25,28)
InChIKeySPIZUQUKCOMPKG-UHFFFAOYSA-N
XLogP3.61
TPSA80.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)methyl-methylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 45352861
(2S)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 25491326
2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 46631362
(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 9494628
(2R)-2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 9460877
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 55430703
(2R)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 135898082
3-amino-2-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 62670322
N-[(4-tert-butylphenyl)methyl]-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 25222413
3-(4-tert-butylphenyl)-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)propanamide
CID 17466693
2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 112798454
2,2-difluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 103605142

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylphenyl)methyl-methylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
The IUPAC name of 2-[(4-tert-butylphenyl)methyl-methylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide (CID 45281424) is 2-[(4-tert-butylphenyl)methyl-methylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide.
What is the SMILES notation for 2-[(4-tert-butylphenyl)methyl-methylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
The canonical SMILES for 2-[(4-tert-butylphenyl)methyl-methylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide is CC(C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N(C)Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-[(4-tert-butylphenyl)methyl-methylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
The InChIKey is SPIZUQUKCOMPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-14(26(5)13-15-6-8-16(9-7-15)22(2,3)4)20(27)23-17-10-11-18-19(12-17)25-21(28)24-18/h6-12,14H,13H2,1-5H3,(H,23,27)(H2,24,25,28).
What are the key properties of 2-[(4-tert-butylphenyl)methyl-methylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
2-[(4-tert-butylphenyl)methyl-methylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide has a molecular weight of 380.49 g/mol, XLogP of 3.61, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylphenyl)methyl-methylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide is sourced from PubChem (CID 45281424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).