6-methyl-2-[5-[(2S)-oxan-2-yl]furan-2-yl]-1H-benzimidazole

C17H18N2O2 — CID 95190849

IUPAC6-methyl-2-[5-[(2S)-oxan-2-yl]furan-2-yl]-1H-benzimidazole
SMILESCc1ccc2nc(-c3ccc([C@@H]4CCCCO4)o3)[nH]c2c1
InChIInChI=1S/C17H18N2O2/c1-11-5-6-12-13(10-11)19-17(18-12)16-8-7-15(21-16)14-4-2-3-9-20-14/h5-8,10,14H,2-4,9H2,1H3,(H,18,19)/t14-/m0/s1
InChIKeyRMUJJOUQEIYMTJ-AWEZNQCLSA-N
MW282.34 g/mol
LogP4.37
Rot. Bonds2

About 6-methyl-2-[5-[(2S)-oxan-2-yl]furan-2-yl]-1H-benzimidazole

6-methyl-2-[5-[(2S)-oxan-2-yl]furan-2-yl]-1H-benzimidazole (PubChem CID 95190849) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 6-methyl-2-[5-[(2S)-oxan-2-yl]furan-2-yl]-1H-benzimidazole.

Molecular Properties

Compound Name6-methyl-2-[5-[(2S)-oxan-2-yl]furan-2-yl]-1H-benzimidazole
PubChem CID95190849
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name6-methyl-2-[5-[(2S)-oxan-2-yl]furan-2-yl]-1H-benzimidazole
SMILESCc1ccc2nc(-c3ccc([C@@H]4CCCCO4)o3)[nH]c2c1
InChIInChI=1S/C17H18N2O2/c1-11-5-6-12-13(10-11)19-17(18-12)16-8-7-15(21-16)14-4-2-3-9-20-14/h5-8,10,14H,2-4,9H2,1H3,(H,18,19)/t14-/m0/s1
InChIKeyRMUJJOUQEIYMTJ-AWEZNQCLSA-N
XLogP4.37
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-6-(4-methylpiperazin-1-yl)-2-[5-(oxan-2-yl)furan-2-yl]-1H-benzimidazole
CID 164694130
1,6-dimethyl-2-[5-(6-methyl-1H-benzimidazol-2-yl)furan-2-yl]benzimidazole
CID 58652944
2-(6-methyl-1H-benzimidazol-2-yl)furo[2,3-b]pyridine
CID 167779951
6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
CID 20689909
6-methyl-2-[5-(4-methyl-3-nitrophenyl)furan-2-yl]-1H-benzimidazole
CID 91674065
2-(cyclohexylmethyl)-6-methyl-1H-benzimidazole
CID 10082509
6-methyl-2-[6-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole
CID 3532439
5-[3-(6-methyl-1H-benzimidazol-2-yl)phenyl]furan-2-carbaldehyde
CID 169334844
methane;4-(6-methyl-1H-benzimidazol-2-yl)aniline
CID 159476815
2-(oxolan-2-yl)-3H-benzimidazole-5-carbonitrile
CID 79004157
6-methyl-2-(oxolan-3-yl)-1H-benzimidazole
CID 61311575
2-(2-fluoro-5-methylphenyl)oxane
CID 142365700

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[5-[(2S)-oxan-2-yl]furan-2-yl]-1H-benzimidazole?
The IUPAC name of 6-methyl-2-[5-[(2S)-oxan-2-yl]furan-2-yl]-1H-benzimidazole (CID 95190849) is 6-methyl-2-[5-[(2S)-oxan-2-yl]furan-2-yl]-1H-benzimidazole.
What is the SMILES notation for 6-methyl-2-[5-[(2S)-oxan-2-yl]furan-2-yl]-1H-benzimidazole?
The canonical SMILES for 6-methyl-2-[5-[(2S)-oxan-2-yl]furan-2-yl]-1H-benzimidazole is Cc1ccc2nc(-c3ccc([C@@H]4CCCCO4)o3)[nH]c2c1.
What is the InChIKey of 6-methyl-2-[5-[(2S)-oxan-2-yl]furan-2-yl]-1H-benzimidazole?
The InChIKey is RMUJJOUQEIYMTJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-11-5-6-12-13(10-11)19-17(18-12)16-8-7-15(21-16)14-4-2-3-9-20-14/h5-8,10,14H,2-4,9H2,1H3,(H,18,19)/t14-/m0/s1.
What are the key properties of 6-methyl-2-[5-[(2S)-oxan-2-yl]furan-2-yl]-1H-benzimidazole?
6-methyl-2-[5-[(2S)-oxan-2-yl]furan-2-yl]-1H-benzimidazole has a molecular weight of 282.34 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[5-[(2S)-oxan-2-yl]furan-2-yl]-1H-benzimidazole is sourced from PubChem (CID 95190849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).