1-(1-methylbenzimidazol-2-yl)-3-phenoxypropan-2-ol

C17H18N2O2 — CID 79755905

IUPAC1-(1-methylbenzimidazol-2-yl)-3-phenoxypropan-2-ol
SMILESCn1c(CC(O)COc2ccccc2)nc2ccccc21
InChIInChI=1S/C17H18N2O2/c1-19-16-10-6-5-9-15(16)18-17(19)11-13(20)12-21-14-7-3-2-4-8-14/h2-10,13,20H,11-12H2,1H3
InChIKeyWDNLQTFCHQINOS-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.56
Rot. Bonds5

About 1-(1-methylbenzimidazol-2-yl)-3-phenoxypropan-2-ol

1-(1-methylbenzimidazol-2-yl)-3-phenoxypropan-2-ol (PubChem CID 79755905) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-(1-methylbenzimidazol-2-yl)-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name1-(1-methylbenzimidazol-2-yl)-3-phenoxypropan-2-ol
PubChem CID79755905
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name1-(1-methylbenzimidazol-2-yl)-3-phenoxypropan-2-ol
SMILESCn1c(CC(O)COc2ccccc2)nc2ccccc21
InChIInChI=1S/C17H18N2O2/c1-19-16-10-6-5-9-15(16)18-17(19)11-13(20)12-21-14-7-3-2-4-8-14/h2-10,13,20H,11-12H2,1H3
InChIKeyWDNLQTFCHQINOS-UHFFFAOYSA-N
XLogP2.56
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethoxy-3-(1-methylbenzimidazol-2-yl)propan-2-ol
CID 79753545
1-(1-methylbenzimidazol-2-yl)-3-propoxypropan-2-ol
CID 79753857
1-(1-methylbenzimidazol-2-yl)-3-phenylpropan-2-ol
CID 79753827
1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropan-2-ol
CID 79754354
(1R)-1-(4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 763733
1-(1-methylbenzimidazol-2-yl)-3-(4-methylphenyl)propan-2-ol
CID 79755900
3-methyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol
CID 79753505
1-(1-methylbenzimidazol-2-yl)-3-(2-methylpropylsulfanyl)propan-2-ol
CID 79754356
1-(1-methylbenzimidazol-2-yl)-3-(2-methylpropylamino)propan-2-ol
CID 79750517
1-(1-methylbenzimidazol-2-yl)pentane-2,3-diol
CID 103454668
1-(2-methoxyethylamino)-3-(1-methylbenzimidazol-2-yl)propan-2-ol
CID 79750661
1-(4-methylphenoxy)-3-[2-(phenoxymethyl)benzimidazol-1-yl]propan-2-ol
CID 43837450

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylbenzimidazol-2-yl)-3-phenoxypropan-2-ol?
The IUPAC name of 1-(1-methylbenzimidazol-2-yl)-3-phenoxypropan-2-ol (CID 79755905) is 1-(1-methylbenzimidazol-2-yl)-3-phenoxypropan-2-ol.
What is the SMILES notation for 1-(1-methylbenzimidazol-2-yl)-3-phenoxypropan-2-ol?
The canonical SMILES for 1-(1-methylbenzimidazol-2-yl)-3-phenoxypropan-2-ol is Cn1c(CC(O)COc2ccccc2)nc2ccccc21.
What is the InChIKey of 1-(1-methylbenzimidazol-2-yl)-3-phenoxypropan-2-ol?
The InChIKey is WDNLQTFCHQINOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-19-16-10-6-5-9-15(16)18-17(19)11-13(20)12-21-14-7-3-2-4-8-14/h2-10,13,20H,11-12H2,1H3.
What are the key properties of 1-(1-methylbenzimidazol-2-yl)-3-phenoxypropan-2-ol?
1-(1-methylbenzimidazol-2-yl)-3-phenoxypropan-2-ol has a molecular weight of 282.34 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylbenzimidazol-2-yl)-3-phenoxypropan-2-ol is sourced from PubChem (CID 79755905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).