[4-(dimethylamino)phenyl]-(1-ethylimidazol-2-yl)methanol

C14H19N3O — CID 648921

IUPAC[4-(dimethylamino)phenyl]-(1-ethylimidazol-2-yl)methanol
SMILESCCn1ccnc1C(O)c1ccc(N(C)C)cc1
InChIInChI=1S/C14H19N3O/c1-4-17-10-9-15-14(17)13(18)11-5-7-12(8-6-11)16(2)3/h5-10,13,18H,4H2,1-3H3
InChIKeyUKIFMJRUEMXRCC-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.05
Rot. Bonds4

About [4-(dimethylamino)phenyl]-(1-ethylimidazol-2-yl)methanol

[4-(dimethylamino)phenyl]-(1-ethylimidazol-2-yl)methanol (PubChem CID 648921) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is [4-(dimethylamino)phenyl]-(1-ethylimidazol-2-yl)methanol.

Molecular Properties

Compound Name[4-(dimethylamino)phenyl]-(1-ethylimidazol-2-yl)methanol
PubChem CID648921
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name[4-(dimethylamino)phenyl]-(1-ethylimidazol-2-yl)methanol
SMILESCCn1ccnc1C(O)c1ccc(N(C)C)cc1
InChIInChI=1S/C14H19N3O/c1-4-17-10-9-15-14(17)13(18)11-5-7-12(8-6-11)16(2)3/h5-10,13,18H,4H2,1-3H3
InChIKeyUKIFMJRUEMXRCC-UHFFFAOYSA-N
XLogP2.05
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1H-imidazol-1-yl)-1-phenylethanol
CID 32239
(1-methyl-1H-imidazol-2-yl)(phenyl)methanol
CID 2859379
[4-(1H-imidazol-1-yl)phenyl](4-methylphenyl)methanol
CID 3842547
(5-chloro-1-methyl-1H-imidazol-2-yl)(phenyl)methanol
CID 650470
(1-benzyl-1H-imidazol-2-yl)(phenyl)methanol
CID 2870369
N-[4-[1-hydroxy-2-(3-methylimidazol-3-ium-1-yl)ethyl]phenyl]methanesulfonamide
CID 9818959
N-[4-[2-(2,3-dimethylimidazol-3-ium-1-yl)-1-hydroxyethyl]phenyl]methanesulfonamide chloride
CID 13763377
1-(2-sec-butyl-1-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-1H-imidazol-5-yl)-2-methylpropan-1-ol
CID 44407163
(E)-3-(1-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-2-isopropyl-1H-imidazol-5-yl)acrylonitrile
CID 44407205
2-(4-(2-sec-butyl-5-(1-hydroxyethyl)-1H-imidazol-1-yl)phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 44407231
5-((1-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-2-isopropyl-1H-imidazol-5-yl)methoxy)pentanenitrile
CID 44407241
6-((1-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-2-isopropyl-1H-imidazol-5-yl)methoxy)hexanenitrile
CID 44407243

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)phenyl]-(1-ethylimidazol-2-yl)methanol?
The IUPAC name of [4-(dimethylamino)phenyl]-(1-ethylimidazol-2-yl)methanol (CID 648921) is [4-(dimethylamino)phenyl]-(1-ethylimidazol-2-yl)methanol.
What is the SMILES notation for [4-(dimethylamino)phenyl]-(1-ethylimidazol-2-yl)methanol?
The canonical SMILES for [4-(dimethylamino)phenyl]-(1-ethylimidazol-2-yl)methanol is CCn1ccnc1C(O)c1ccc(N(C)C)cc1.
What is the InChIKey of [4-(dimethylamino)phenyl]-(1-ethylimidazol-2-yl)methanol?
The InChIKey is UKIFMJRUEMXRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-4-17-10-9-15-14(17)13(18)11-5-7-12(8-6-11)16(2)3/h5-10,13,18H,4H2,1-3H3.
What are the key properties of [4-(dimethylamino)phenyl]-(1-ethylimidazol-2-yl)methanol?
[4-(dimethylamino)phenyl]-(1-ethylimidazol-2-yl)methanol has a molecular weight of 245.33 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)phenyl]-(1-ethylimidazol-2-yl)methanol is sourced from PubChem (CID 648921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).