(2S)-N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-hydroxy-2-phenylpropanamide

C22H20N4O2 — CID 95191566

IUPAC(2S)-N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-hydroxy-2-phenylpropanamide
SMILESC[C@@](O)(C(=O)NCc1cccnc1-n1cnc2ccccc21)c1ccccc1
InChIInChI=1S/C22H20N4O2/c1-22(28,17-9-3-2-4-10-17)21(27)24-14-16-8-7-13-23-20(16)26-15-25-18-11-5-6-12-19(18)26/h2-13,15,28H,14H2,1H3,(H,24,27)/t22-/m0/s1
InChIKeyZGDIHXLRPKOHGK-QFIPXVFZSA-N
MW372.43 g/mol
LogP2.94
Rot. Bonds5

About (2S)-N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-hydroxy-2-phenylpropanamide

(2S)-N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-hydroxy-2-phenylpropanamide (PubChem CID 95191566) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is (2S)-N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-hydroxy-2-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-hydroxy-2-phenylpropanamide
PubChem CID95191566
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name(2S)-N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-hydroxy-2-phenylpropanamide
SMILESC[C@@](O)(C(=O)NCc1cccnc1-n1cnc2ccccc21)c1ccccc1
InChIInChI=1S/C22H20N4O2/c1-22(28,17-9-3-2-4-10-17)21(27)24-14-16-8-7-13-23-20(16)26-15-25-18-11-5-6-12-19(18)26/h2-13,15,28H,14H2,1H3,(H,24,27)/t22-/m0/s1
InChIKeyZGDIHXLRPKOHGK-QFIPXVFZSA-N
XLogP2.94
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-ethyl-2-pyridinyl)benzimidazole
CID 148503736
N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-1-methylpiperidine-2-carboxamide
CID 45182568
(2S)-N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 95223644
N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide
CID 95200164
[2-(benzimidazol-1-yl)-3-pyridinyl]methanamine;dihydrochloride
CID 50988410
2-amino-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-phenylpropanamide
CID 120597599
(2S)-2-amino-N-[[4-(benzimidazol-1-yl)phenyl]methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119760560
1-[3-[2-(3-methylsulfonylphenyl)-2-pyridin-3-ylethyl]-2-pyridinyl]benzimidazole
CID 66829901
2-(benzimidazol-1-yl)-2-methylpropanoic acid
CID 82235137
1-(2-ethylphenyl)benzimidazole
CID 22078308
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 49045941
3-(benzimidazol-1-yl)-1-ethylquinoxalin-2-one
CID 162419791

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-hydroxy-2-phenylpropanamide?
The IUPAC name of (2S)-N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-hydroxy-2-phenylpropanamide (CID 95191566) is (2S)-N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-hydroxy-2-phenylpropanamide.
What is the SMILES notation for (2S)-N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-hydroxy-2-phenylpropanamide?
The canonical SMILES for (2S)-N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-hydroxy-2-phenylpropanamide is C[C@@](O)(C(=O)NCc1cccnc1-n1cnc2ccccc21)c1ccccc1.
What is the InChIKey of (2S)-N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-hydroxy-2-phenylpropanamide?
The InChIKey is ZGDIHXLRPKOHGK-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-22(28,17-9-3-2-4-10-17)21(27)24-14-16-8-7-13-23-20(16)26-15-25-18-11-5-6-12-19(18)26/h2-13,15,28H,14H2,1H3,(H,24,27)/t22-/m0/s1.
What are the key properties of (2S)-N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-hydroxy-2-phenylpropanamide?
(2S)-N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-hydroxy-2-phenylpropanamide has a molecular weight of 372.43 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-hydroxy-2-phenylpropanamide is sourced from PubChem (CID 95191566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).