2-[2-[(1S)-1-hydroxyethyl]benzimidazol-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide

C20H23N3O2 — CID 97310895

IUPAC2-[2-[(1S)-1-hydroxyethyl]benzimidazol-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide
SMILESCc1ccccc1CCNC(=O)Cn1c([C@H](C)O)nc2ccccc21
InChIInChI=1S/C20H23N3O2/c1-14-7-3-4-8-16(14)11-12-21-19(25)13-23-18-10-6-5-9-17(18)22-20(23)15(2)24/h3-10,15,24H,11-13H2,1-2H3,(H,21,25)/t15-/m0/s1
InChIKeyDIPAJANKONMTOW-HNNXBMFYSA-N
MW337.42 g/mol
LogP2.76
Rot. Bonds6

About 2-[2-[(1S)-1-hydroxyethyl]benzimidazol-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide

2-[2-[(1S)-1-hydroxyethyl]benzimidazol-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide (PubChem CID 97310895) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-[2-[(1S)-1-hydroxyethyl]benzimidazol-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-[(1S)-1-hydroxyethyl]benzimidazol-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide
PubChem CID97310895
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name2-[2-[(1S)-1-hydroxyethyl]benzimidazol-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide
SMILESCc1ccccc1CCNC(=O)Cn1c([C@H](C)O)nc2ccccc21
InChIInChI=1S/C20H23N3O2/c1-14-7-3-4-8-16(14)11-12-21-19(25)13-23-18-10-6-5-9-17(18)22-20(23)15(2)24/h3-10,15,24H,11-13H2,1-2H3,(H,21,25)/t15-/m0/s1
InChIKeyDIPAJANKONMTOW-HNNXBMFYSA-N
XLogP2.76
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 17028648
2-[2-(1-hydroxyethyl)benzimidazol-1-yl]-N-(2-phenylphenyl)acetamide
CID 112787842
N-[1-[1-[2-oxo-2-(2-phenylethylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 4001792
2-(2-methylphenyl)-N-[2-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979203
N-[2,6-di(propan-2-yl)phenyl]-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide
CID 112787844
2-(2-methylphenyl)-N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]acetamide
CID 16973153
N-(4-tert-butylphenyl)-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide
CID 112787797
N'-[2-(2-methylbenzimidazol-1-yl)acetyl]-2-(2-methylphenyl)acetohydrazide
CID 127044969
N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide
CID 16979200
N-(2-acetamidoethyl)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 47131203
2-(2-methylphenyl)-N-[1-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16973287
N-benzyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 17028642

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1S)-1-hydroxyethyl]benzimidazol-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide?
The IUPAC name of 2-[2-[(1S)-1-hydroxyethyl]benzimidazol-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide (CID 97310895) is 2-[2-[(1S)-1-hydroxyethyl]benzimidazol-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[2-[(1S)-1-hydroxyethyl]benzimidazol-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[2-[(1S)-1-hydroxyethyl]benzimidazol-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide is Cc1ccccc1CCNC(=O)Cn1c([C@H](C)O)nc2ccccc21.
What is the InChIKey of 2-[2-[(1S)-1-hydroxyethyl]benzimidazol-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide?
The InChIKey is DIPAJANKONMTOW-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14-7-3-4-8-16(14)11-12-21-19(25)13-23-18-10-6-5-9-17(18)22-20(23)15(2)24/h3-10,15,24H,11-13H2,1-2H3,(H,21,25)/t15-/m0/s1.
What are the key properties of 2-[2-[(1S)-1-hydroxyethyl]benzimidazol-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide?
2-[2-[(1S)-1-hydroxyethyl]benzimidazol-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide has a molecular weight of 337.42 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1S)-1-hydroxyethyl]benzimidazol-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 97310895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).