(2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol

C20H22N2O2 — CID 7309443

IUPAC(2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol
SMILESCc1nc2ccccc2n1C[C@@H](O)COc1ccc2c(c1)CCC2
InChIInChI=1S/C20H22N2O2/c1-14-21-19-7-2-3-8-20(19)22(14)12-17(23)13-24-18-10-9-15-5-4-6-16(15)11-18/h2-3,7-11,17,23H,4-6,12-13H2,1H3/t17-/m1/s1
InChIKeyIITFWUVFMQWUEY-QGZVFWFLSA-N
MW322.41 g/mol
LogP3.27
Rot. Bonds5

About (2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol

(2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol (PubChem CID 7309443) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is (2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol
PubChem CID7309443
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name(2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol
SMILESCc1nc2ccccc2n1C[C@@H](O)COc1ccc2c(c1)CCC2
InChIInChI=1S/C20H22N2O2/c1-14-21-19-7-2-3-8-20(19)22(14)12-17(23)13-24-18-10-9-15-5-4-6-16(15)11-18/h2-3,7-11,17,23H,4-6,12-13H2,1H3/t17-/m1/s1
InChIKeyIITFWUVFMQWUEY-QGZVFWFLSA-N
XLogP3.27
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[4-[(2R)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenoxy]-3-(2-methylbenzimidazol-1-yl)propan-2-ol
CID 1151095
(2R)-1-(2-methylbenzimidazol-1-yl)-3-(4-methylphenoxy)propan-2-ol
CID 2062293
7-[(2R)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]-4-methylchromen-2-one
CID 7421263
(2R)-1-(2-methoxyphenoxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol
CID 879417
(2R)-1-(2-chlorophenoxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol
CID 877426
(2S)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-[4-[(2S)-3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 51629003
1-naphthalen-2-yloxy-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol
CID 15998647
1-(2,3-dimethylphenoxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol
CID 46270242
(2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol
CID 1094986
(2R)-1-(2-cyclopropylbenzimidazol-1-yl)-3-(3,4-dimethylphenoxy)propan-2-ol
CID 27407765
(2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 762913
(2S)-1-(2-cyclohexylbenzimidazol-1-yl)-3-(3,4-dimethylphenoxy)propan-2-ol
CID 96571491

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol?
The IUPAC name of (2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol (CID 7309443) is (2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol?
The canonical SMILES for (2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol is Cc1nc2ccccc2n1C[C@@H](O)COc1ccc2c(c1)CCC2.
What is the InChIKey of (2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol?
The InChIKey is IITFWUVFMQWUEY-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-14-21-19-7-2-3-8-20(19)22(14)12-17(23)13-24-18-10-9-15-5-4-6-16(15)11-18/h2-3,7-11,17,23H,4-6,12-13H2,1H3/t17-/m1/s1.
What are the key properties of (2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol?
(2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol has a molecular weight of 322.41 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol is sourced from PubChem (CID 7309443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).