(1R)-1-[4-(dimethylamino)phenyl]-2-(1-methylbenzimidazol-2-yl)ethanol

C18H21N3O — CID 702567

IUPAC(1R)-1-[4-(dimethylamino)phenyl]-2-(1-methylbenzimidazol-2-yl)ethanol
SMILESCN(C)c1ccc([C@H](O)Cc2nc3ccccc3n2C)cc1
InChIInChI=1S/C18H21N3O/c1-20(2)14-10-8-13(9-11-14)17(22)12-18-19-15-6-4-5-7-16(15)21(18)3/h4-11,17,22H,12H2,1-3H3/t17-/m1/s1
InChIKeyXLLVFCQSURIOHM-QGZVFWFLSA-N
MW295.39 g/mol
LogP2.92
Rot. Bonds4

About (1R)-1-[4-(dimethylamino)phenyl]-2-(1-methylbenzimidazol-2-yl)ethanol

(1R)-1-[4-(dimethylamino)phenyl]-2-(1-methylbenzimidazol-2-yl)ethanol (PubChem CID 702567) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is (1R)-1-[4-(dimethylamino)phenyl]-2-(1-methylbenzimidazol-2-yl)ethanol.

Molecular Properties

Compound Name(1R)-1-[4-(dimethylamino)phenyl]-2-(1-methylbenzimidazol-2-yl)ethanol
PubChem CID702567
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name(1R)-1-[4-(dimethylamino)phenyl]-2-(1-methylbenzimidazol-2-yl)ethanol
SMILESCN(C)c1ccc([C@H](O)Cc2nc3ccccc3n2C)cc1
InChIInChI=1S/C18H21N3O/c1-20(2)14-10-8-13(9-11-14)17(22)12-18-19-15-6-4-5-7-16(15)21(18)3/h4-11,17,22H,12H2,1-3H3/t17-/m1/s1
InChIKeyXLLVFCQSURIOHM-QGZVFWFLSA-N
XLogP2.92
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 763733
1-(3,4-difluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 79754597
1-(furan-3-yl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 79753671
1-(3-bromo-4-methylphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 115818511
1-(4-chloro-3-methylphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 115818504
3-methyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol
CID 79753505
1-(1-methylbenzimidazol-2-yl)pentane-2,3-diol
CID 103454668
1-(1-methylbenzimidazol-2-yl)-3-phenylpropan-2-ol
CID 79753827
1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropan-2-ol
CID 79754354
3-ethyl-3-N,3-N-dimethyl-1-(1-methylbenzimidazol-2-yl)pentane-2,3-diamine
CID 79757194
2-(1-ethylbenzimidazol-2-yl)-1-(4-fluorophenyl)ethanol
CID 79754584
1-chloro-1,1-difluoro-3-(1-methylbenzimidazol-2-yl)propan-2-ol
CID 112575265

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(dimethylamino)phenyl]-2-(1-methylbenzimidazol-2-yl)ethanol?
The IUPAC name of (1R)-1-[4-(dimethylamino)phenyl]-2-(1-methylbenzimidazol-2-yl)ethanol (CID 702567) is (1R)-1-[4-(dimethylamino)phenyl]-2-(1-methylbenzimidazol-2-yl)ethanol.
What is the SMILES notation for (1R)-1-[4-(dimethylamino)phenyl]-2-(1-methylbenzimidazol-2-yl)ethanol?
The canonical SMILES for (1R)-1-[4-(dimethylamino)phenyl]-2-(1-methylbenzimidazol-2-yl)ethanol is CN(C)c1ccc([C@H](O)Cc2nc3ccccc3n2C)cc1.
What is the InChIKey of (1R)-1-[4-(dimethylamino)phenyl]-2-(1-methylbenzimidazol-2-yl)ethanol?
The InChIKey is XLLVFCQSURIOHM-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H21N3O/c1-20(2)14-10-8-13(9-11-14)17(22)12-18-19-15-6-4-5-7-16(15)21(18)3/h4-11,17,22H,12H2,1-3H3/t17-/m1/s1.
What are the key properties of (1R)-1-[4-(dimethylamino)phenyl]-2-(1-methylbenzimidazol-2-yl)ethanol?
(1R)-1-[4-(dimethylamino)phenyl]-2-(1-methylbenzimidazol-2-yl)ethanol has a molecular weight of 295.39 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(dimethylamino)phenyl]-2-(1-methylbenzimidazol-2-yl)ethanol is sourced from PubChem (CID 702567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).