2-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide

C23H30N4O2 — CID 45281468

IUPAC2-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
SMILESCC(NC(c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C23H30N4O2/c1-13(2)16-6-8-17(9-7-16)21(14(3)4)24-15(5)22(28)25-18-10-11-19-20(12-18)27-23(29)26-19/h6-15,21,24H,1-5H3,(H,25,28)(H2,26,27,29)
InChIKeyDQISDSMCHSLFEH-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.29
Rot. Bonds7

About 2-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide

2-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide (PubChem CID 45281468) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide.

Molecular Properties

Compound Name2-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
PubChem CID45281468
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name2-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
SMILESCC(NC(c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C23H30N4O2/c1-13(2)16-6-8-17(9-7-16)21(14(3)4)24-15(5)22(28)25-18-10-11-19-20(12-18)27-23(29)26-19/h6-15,21,24H,1-5H3,(H,25,28)(H2,26,27,29)
InChIKeyDQISDSMCHSLFEH-UHFFFAOYSA-N
XLogP4.29
TPSA89.78 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(4-acetamidophenyl)-2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]propanamide
CID 8923032
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CID 45281792
(2R)-2-[[(1R)-3-methyl-1-phenylbutyl]amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 25483087
3-amino-2-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 62670322
(2R)-2-(4-bromoanilino)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 9273871
2,2-difluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 103605142
2-[1-(2,5-dimethoxyphenyl)ethylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 45351312
[(2R)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl]-[(1S)-1-phenylethyl]azanium
CID 9248740
2,5-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(4-propan-2-ylphenyl)pyrrole-3-carboxamide
CID 35189104
(2R)-N-(4-chlorophenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]propanamide
CID 9132361
2-methyl-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-phenylpropanamide
CID 20603495
(2R)-2-(2-methoxyanilino)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
The IUPAC name of 2-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide (CID 45281468) is 2-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide.
What is the SMILES notation for 2-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
The canonical SMILES for 2-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide is CC(NC(c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 2-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
The InChIKey is DQISDSMCHSLFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-13(2)16-6-8-17(9-7-16)21(14(3)4)24-15(5)22(28)25-18-10-11-19-20(12-18)27-23(29)26-19/h6-15,21,24H,1-5H3,(H,25,28)(H2,26,27,29).
What are the key properties of 2-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
2-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide has a molecular weight of 394.52 g/mol, XLogP of 4.29, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide is sourced from PubChem (CID 45281468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).