(2R)-2-[[(1R)-3-methyl-1-phenylbutyl]amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide

C21H26N4O2 — CID 25483087

IUPAC(2R)-2-[[(1R)-3-methyl-1-phenylbutyl]amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
SMILESCC(C)C[C@@H](N[C@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1
InChIInChI=1S/C21H26N4O2/c1-13(2)11-18(15-7-5-4-6-8-15)22-14(3)20(26)23-16-9-10-17-19(12-16)25-21(27)24-17/h4-10,12-14,18,22H,11H2,1-3H3,(H,23,26)(H2,24,25,27)/t14-,18-/m1/s1
InChIKeyDPFWUYMXHYMRFZ-RDTXWAMCSA-N
MW366.47 g/mol
LogP3.56
Rot. Bonds7

About (2R)-2-[[(1R)-3-methyl-1-phenylbutyl]amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide

(2R)-2-[[(1R)-3-methyl-1-phenylbutyl]amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide (PubChem CID 25483087) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is (2R)-2-[[(1R)-3-methyl-1-phenylbutyl]amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-[[(1R)-3-methyl-1-phenylbutyl]amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
PubChem CID25483087
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name(2R)-2-[[(1R)-3-methyl-1-phenylbutyl]amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
SMILESCC(C)C[C@@H](N[C@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1
InChIInChI=1S/C21H26N4O2/c1-13(2)11-18(15-7-5-4-6-8-15)22-14(3)20(26)23-16-9-10-17-19(12-16)25-21(27)24-17/h4-10,12-14,18,22H,11H2,1-3H3,(H,23,26)(H2,24,25,27)/t14-,18-/m1/s1
InChIKeyDPFWUYMXHYMRFZ-RDTXWAMCSA-N
XLogP3.56
TPSA89.78 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[(1S)-3-methyl-1-phenylbutyl]amino]-N-phenylpropanamide
CID 8645970
2-[1-(3-chlorophenyl)ethylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 45281792
[(2R)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl]-[(1S)-1-phenylethyl]azanium
CID 9248740
2-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 45281468
(2S)-N-(4-fluoro-3-nitrophenyl)-2-[[(1R)-3-methyl-1-phenylbutyl]amino]propanamide
CID 8645952
2-methyl-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-phenylpropanamide
CID 20603495
3-amino-2-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 62670322
benzyl-methyl-[(2S)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl]azanium
CID 9274719
(2R)-2-(4-bromoanilino)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 9273871
(2R)-2-(2-methoxyanilino)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 9274065
2,2-difluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 103605142
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-piperidin-1-ylpropanamide
CID 22109568

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1R)-3-methyl-1-phenylbutyl]amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
The IUPAC name of (2R)-2-[[(1R)-3-methyl-1-phenylbutyl]amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide (CID 25483087) is (2R)-2-[[(1R)-3-methyl-1-phenylbutyl]amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide.
What is the SMILES notation for (2R)-2-[[(1R)-3-methyl-1-phenylbutyl]amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
The canonical SMILES for (2R)-2-[[(1R)-3-methyl-1-phenylbutyl]amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide is CC(C)C[C@@H](N[C@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1.
What is the InChIKey of (2R)-2-[[(1R)-3-methyl-1-phenylbutyl]amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
The InChIKey is DPFWUYMXHYMRFZ-RDTXWAMCSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-13(2)11-18(15-7-5-4-6-8-15)22-14(3)20(26)23-16-9-10-17-19(12-16)25-21(27)24-17/h4-10,12-14,18,22H,11H2,1-3H3,(H,23,26)(H2,24,25,27)/t14-,18-/m1/s1.
What are the key properties of (2R)-2-[[(1R)-3-methyl-1-phenylbutyl]amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
(2R)-2-[[(1R)-3-methyl-1-phenylbutyl]amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide has a molecular weight of 366.47 g/mol, XLogP of 3.56, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1R)-3-methyl-1-phenylbutyl]amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide is sourced from PubChem (CID 25483087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).