2-[(2R)-1-[(2S)-oxolan-2-yl]propan-2-yl]-1H-benzimidazole

C14H18N2O — CID 7068341

IUPAC2-[(2R)-1-[(2S)-oxolan-2-yl]propan-2-yl]-1H-benzimidazole
SMILESC[C@H](C[C@@H]1CCCO1)c1nc2ccccc2[nH]1
InChIInChI=1S/C14H18N2O/c1-10(9-11-5-4-8-17-11)14-15-12-6-2-3-7-13(12)16-14/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H,15,16)/t10-,11+/m1/s1
InChIKeyPGKXHOXFSIQBOT-MNOVXSKESA-N
MW230.31 g/mol
LogP3.24
Rot. Bonds3

About 2-[(2R)-1-[(2S)-oxolan-2-yl]propan-2-yl]-1H-benzimidazole

2-[(2R)-1-[(2S)-oxolan-2-yl]propan-2-yl]-1H-benzimidazole (PubChem CID 7068341) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[(2R)-1-[(2S)-oxolan-2-yl]propan-2-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(2R)-1-[(2S)-oxolan-2-yl]propan-2-yl]-1H-benzimidazole
PubChem CID7068341
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-[(2R)-1-[(2S)-oxolan-2-yl]propan-2-yl]-1H-benzimidazole
SMILESC[C@H](C[C@@H]1CCCO1)c1nc2ccccc2[nH]1
InChIInChI=1S/C14H18N2O/c1-10(9-11-5-4-8-17-11)14-15-12-6-2-3-7-13(12)16-14/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H,15,16)/t10-,11+/m1/s1
InChIKeyPGKXHOXFSIQBOT-MNOVXSKESA-N
XLogP3.24
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2R)-1-[(2R)-oxolan-2-yl]propan-2-yl]-1H-benzimidazole
CID 908483
(2R)-2-(1H-benzimidazol-2-yl)-3-oxo-4-[(2R)-oxolan-2-yl]butanenitrile
CID 94189112
(2S)-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]oxolane-2-carboxamide
CID 40939596
1-(1H-benzimidazol-2-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 62673724
N-[(1S,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 102564334
2-propan-2-yl-1H-benzimidazole
CID 22121
N-(oxolan-2-ylmethyl)-2-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 110765626
2-(1-ethoxypropan-2-yl)-1H-benzimidazole
CID 20681263
N-[1-(1H-benzimidazol-2-yl)ethyl]cyclohexanamine
CID 53410318
2-[4-(1H-benzimidazol-2-yl)pentan-2-yl]-4-methyl-1H-benzimidazole
CID 151651960
1-(1H-benzimidazol-2-yl)-N-(cyclohexylmethyl)ethanamine
CID 60665119
2-[1-(oxan-2-ylmethyl)piperidin-3-yl]-1H-benzimidazole
CID 56852354

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[(2S)-oxolan-2-yl]propan-2-yl]-1H-benzimidazole?
The IUPAC name of 2-[(2R)-1-[(2S)-oxolan-2-yl]propan-2-yl]-1H-benzimidazole (CID 7068341) is 2-[(2R)-1-[(2S)-oxolan-2-yl]propan-2-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[(2R)-1-[(2S)-oxolan-2-yl]propan-2-yl]-1H-benzimidazole?
The canonical SMILES for 2-[(2R)-1-[(2S)-oxolan-2-yl]propan-2-yl]-1H-benzimidazole is C[C@H](C[C@@H]1CCCO1)c1nc2ccccc2[nH]1.
What is the InChIKey of 2-[(2R)-1-[(2S)-oxolan-2-yl]propan-2-yl]-1H-benzimidazole?
The InChIKey is PGKXHOXFSIQBOT-MNOVXSKESA-N. The full InChI is InChI=1S/C14H18N2O/c1-10(9-11-5-4-8-17-11)14-15-12-6-2-3-7-13(12)16-14/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H,15,16)/t10-,11+/m1/s1.
What are the key properties of 2-[(2R)-1-[(2S)-oxolan-2-yl]propan-2-yl]-1H-benzimidazole?
2-[(2R)-1-[(2S)-oxolan-2-yl]propan-2-yl]-1H-benzimidazole has a molecular weight of 230.31 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[(2S)-oxolan-2-yl]propan-2-yl]-1H-benzimidazole is sourced from PubChem (CID 7068341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).