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

C18H18N2O — CID 134956094

IUPAC2-[5-methyl-2-[(2S)-oxolan-2-yl]phenyl]-1H-benzimidazole
SMILESCc1ccc([C@@H]2CCCO2)c(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C18H18N2O/c1-12-8-9-13(17-7-4-10-21-17)14(11-12)18-19-15-5-2-3-6-16(15)20-18/h2-3,5-6,8-9,11,17H,4,7,10H2,1H3,(H,19,20)/t17-/m0/s1
InChIKeyMOEHLQKDRDVLIC-KRWDZBQOSA-N
MW278.36 g/mol
LogP4.39
Rot. Bonds2

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

2-[5-methyl-2-[(2S)-oxolan-2-yl]phenyl]-1H-benzimidazole (PubChem CID 134956094) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-[5-methyl-2-[(2S)-oxolan-2-yl]phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[5-methyl-2-[(2S)-oxolan-2-yl]phenyl]-1H-benzimidazole
PubChem CID134956094
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name2-[5-methyl-2-[(2S)-oxolan-2-yl]phenyl]-1H-benzimidazole
SMILESCc1ccc([C@@H]2CCCO2)c(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C18H18N2O/c1-12-8-9-13(17-7-4-10-21-17)14(11-12)18-19-15-5-2-3-6-16(15)20-18/h2-3,5-6,8-9,11,17H,4,7,10H2,1H3,(H,19,20)/t17-/m0/s1
InChIKeyMOEHLQKDRDVLIC-KRWDZBQOSA-N
XLogP4.39
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.39
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-[(2S)-oxolan-2-yl]phenyl]-1H-benzimidazole?
The IUPAC name of 2-[5-methyl-2-[(2S)-oxolan-2-yl]phenyl]-1H-benzimidazole (CID 134956094) is 2-[5-methyl-2-[(2S)-oxolan-2-yl]phenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[5-methyl-2-[(2S)-oxolan-2-yl]phenyl]-1H-benzimidazole?
The canonical SMILES for 2-[5-methyl-2-[(2S)-oxolan-2-yl]phenyl]-1H-benzimidazole is Cc1ccc([C@@H]2CCCO2)c(-c2nc3ccccc3[nH]2)c1.
What is the InChIKey of 2-[5-methyl-2-[(2S)-oxolan-2-yl]phenyl]-1H-benzimidazole?
The InChIKey is MOEHLQKDRDVLIC-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H18N2O/c1-12-8-9-13(17-7-4-10-21-17)14(11-12)18-19-15-5-2-3-6-16(15)20-18/h2-3,5-6,8-9,11,17H,4,7,10H2,1H3,(H,19,20)/t17-/m0/s1.
What are the key properties of 2-[5-methyl-2-[(2S)-oxolan-2-yl]phenyl]-1H-benzimidazole?
2-[5-methyl-2-[(2S)-oxolan-2-yl]phenyl]-1H-benzimidazole has a molecular weight of 278.36 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-2-[(2S)-oxolan-2-yl]phenyl]-1H-benzimidazole is sourced from PubChem (CID 134956094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).