3-[5-(1-ethylpiperidin-3-yl)-4-phenylimidazol-1-yl]propan-1-ol

C19H27N3O — CID 50963958

IUPAC3-[5-(1-ethylpiperidin-3-yl)-4-phenylimidazol-1-yl]propan-1-ol
SMILESCCN1CCCC(c2c(-c3ccccc3)ncn2CCCO)C1
InChIInChI=1S/C19H27N3O/c1-2-21-11-6-10-17(14-21)19-18(16-8-4-3-5-9-16)20-15-22(19)12-7-13-23/h3-5,8-9,15,17,23H,2,6-7,10-14H2,1H3
InChIKeyHHIVRWGQTVMUOE-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.13
Rot. Bonds6

About 3-[5-(1-ethylpiperidin-3-yl)-4-phenylimidazol-1-yl]propan-1-ol

3-[5-(1-ethylpiperidin-3-yl)-4-phenylimidazol-1-yl]propan-1-ol (PubChem CID 50963958) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is 3-[5-(1-ethylpiperidin-3-yl)-4-phenylimidazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-(1-ethylpiperidin-3-yl)-4-phenylimidazol-1-yl]propan-1-ol
PubChem CID50963958
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC Name3-[5-(1-ethylpiperidin-3-yl)-4-phenylimidazol-1-yl]propan-1-ol
SMILESCCN1CCCC(c2c(-c3ccccc3)ncn2CCCO)C1
InChIInChI=1S/C19H27N3O/c1-2-21-11-6-10-17(14-21)19-18(16-8-4-3-5-9-16)20-15-22(19)12-7-13-23/h3-5,8-9,15,17,23H,2,6-7,10-14H2,1H3
InChIKeyHHIVRWGQTVMUOE-UHFFFAOYSA-N
XLogP3.13
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-(4-fluorophenyl)-1-(3-phenylpropyl)-5-(4-pyridinyl)-1H-imidazol-2-yl)-3-butyn-1-ol
CID 3008319
3-(1-Benzyl-1H-imidazol-5-yl)-1-propanol
CID 45103805
N,N-dimethyl-4,5-diphenylimidazole-1-carboxamide
CID 807058
(1-methyl-2-phenyl-1H-imidazol-5-yl)methanol
CID 320833
4-[3-(3-Ethoxypropyl)-5-(4-fluorophenyl)imidazol-4-yl]pyridine
CID 10544044
1-Benzyl-4-(4-phenyl-imidazol-1-yl)-piperidine
CID 21219166
5-Imidazol-1-ylmethyl-2-phenyl-pyridine
CID 44456226
5-(1-(1H-imidazol-1-yl)ethyl)-2-phenylpyridine
CID 57329940
5-(1-(1H-imidazol-1-yl)propyl)-2-phenylpyridine
CID 57329941
5-(1-(1H-imidazol-1-yl)-2-methylpropyl)-2-phenylpyridine
CID 57329942
5-(Cyclopropyl(1H-imidazol-1-yl)methyl)-2-phenylpyridine
CID 67509960
1-Methyl-4,5-diphenyl-1H-imidazole
CID 12974798

Frequently Asked Questions

What is the IUPAC name of 3-[5-(1-ethylpiperidin-3-yl)-4-phenylimidazol-1-yl]propan-1-ol?
The IUPAC name of 3-[5-(1-ethylpiperidin-3-yl)-4-phenylimidazol-1-yl]propan-1-ol (CID 50963958) is 3-[5-(1-ethylpiperidin-3-yl)-4-phenylimidazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[5-(1-ethylpiperidin-3-yl)-4-phenylimidazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[5-(1-ethylpiperidin-3-yl)-4-phenylimidazol-1-yl]propan-1-ol is CCN1CCCC(c2c(-c3ccccc3)ncn2CCCO)C1.
What is the InChIKey of 3-[5-(1-ethylpiperidin-3-yl)-4-phenylimidazol-1-yl]propan-1-ol?
The InChIKey is HHIVRWGQTVMUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-2-21-11-6-10-17(14-21)19-18(16-8-4-3-5-9-16)20-15-22(19)12-7-13-23/h3-5,8-9,15,17,23H,2,6-7,10-14H2,1H3.
What are the key properties of 3-[5-(1-ethylpiperidin-3-yl)-4-phenylimidazol-1-yl]propan-1-ol?
3-[5-(1-ethylpiperidin-3-yl)-4-phenylimidazol-1-yl]propan-1-ol has a molecular weight of 313.44 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1-ethylpiperidin-3-yl)-4-phenylimidazol-1-yl]propan-1-ol is sourced from PubChem (CID 50963958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).