2-[5-methyl-2-[(1S)-1-phenylmethoxyethyl]phenyl]-1H-benzimidazole

C23H22N2O — CID 132574229

IUPAC2-[5-methyl-2-[(1S)-1-phenylmethoxyethyl]phenyl]-1H-benzimidazole
SMILESCc1ccc([C@H](C)OCc2ccccc2)c(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C23H22N2O/c1-16-12-13-19(17(2)26-15-18-8-4-3-5-9-18)20(14-16)23-24-21-10-6-7-11-22(21)25-23/h3-14,17H,15H2,1-2H3,(H,24,25)/t17-/m0/s1
InChIKeyMWJWRARCZIFXGI-KRWDZBQOSA-N
MW342.44 g/mol
LogP5.82
Rot. Bonds5

About 2-[5-methyl-2-[(1S)-1-phenylmethoxyethyl]phenyl]-1H-benzimidazole

2-[5-methyl-2-[(1S)-1-phenylmethoxyethyl]phenyl]-1H-benzimidazole (PubChem CID 132574229) has the molecular formula C23H22N2O and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-[5-methyl-2-[(1S)-1-phenylmethoxyethyl]phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[5-methyl-2-[(1S)-1-phenylmethoxyethyl]phenyl]-1H-benzimidazole
PubChem CID132574229
Molecular FormulaC23H22N2O
Molecular Weight342.44 g/mol
Exact Mass342.17
IUPAC Name2-[5-methyl-2-[(1S)-1-phenylmethoxyethyl]phenyl]-1H-benzimidazole
SMILESCc1ccc([C@H](C)OCc2ccccc2)c(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C23H22N2O/c1-16-12-13-19(17(2)26-15-18-8-4-3-5-9-18)20(14-16)23-24-21-10-6-7-11-22(21)25-23/h3-14,17H,15H2,1-2H3,(H,24,25)/t17-/m0/s1
InChIKeyMWJWRARCZIFXGI-KRWDZBQOSA-N
XLogP5.82
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-2-[(1S)-1-phenylmethoxyethyl]phenyl]-1H-benzimidazole?
The IUPAC name of 2-[5-methyl-2-[(1S)-1-phenylmethoxyethyl]phenyl]-1H-benzimidazole (CID 132574229) is 2-[5-methyl-2-[(1S)-1-phenylmethoxyethyl]phenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[5-methyl-2-[(1S)-1-phenylmethoxyethyl]phenyl]-1H-benzimidazole?
The canonical SMILES for 2-[5-methyl-2-[(1S)-1-phenylmethoxyethyl]phenyl]-1H-benzimidazole is Cc1ccc([C@H](C)OCc2ccccc2)c(-c2nc3ccccc3[nH]2)c1.
What is the InChIKey of 2-[5-methyl-2-[(1S)-1-phenylmethoxyethyl]phenyl]-1H-benzimidazole?
The InChIKey is MWJWRARCZIFXGI-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H22N2O/c1-16-12-13-19(17(2)26-15-18-8-4-3-5-9-18)20(14-16)23-24-21-10-6-7-11-22(21)25-23/h3-14,17H,15H2,1-2H3,(H,24,25)/t17-/m0/s1.
What are the key properties of 2-[5-methyl-2-[(1S)-1-phenylmethoxyethyl]phenyl]-1H-benzimidazole?
2-[5-methyl-2-[(1S)-1-phenylmethoxyethyl]phenyl]-1H-benzimidazole has a molecular weight of 342.44 g/mol, XLogP of 5.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-2-[(1S)-1-phenylmethoxyethyl]phenyl]-1H-benzimidazole is sourced from PubChem (CID 132574229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).