1-[(3-cyclohexylimidazol-4-yl)methyl]-3-phenylpyrrolidin-3-ol

C20H27N3O — CID 91840279

IUPAC1-[(3-cyclohexylimidazol-4-yl)methyl]-3-phenylpyrrolidin-3-ol
SMILESOC1(c2ccccc2)CCN(Cc2cncn2C2CCCCC2)C1
InChIInChI=1S/C20H27N3O/c24-20(17-7-3-1-4-8-17)11-12-22(15-20)14-19-13-21-16-23(19)18-9-5-2-6-10-18/h1,3-4,7-8,13,16,18,24H,2,5-6,9-12,14-15H2
InChIKeyGZQXLJRIIVXLRV-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.48
Rot. Bonds4

About 1-[(3-cyclohexylimidazol-4-yl)methyl]-3-phenylpyrrolidin-3-ol

1-[(3-cyclohexylimidazol-4-yl)methyl]-3-phenylpyrrolidin-3-ol (PubChem CID 91840279) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 1-[(3-cyclohexylimidazol-4-yl)methyl]-3-phenylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(3-cyclohexylimidazol-4-yl)methyl]-3-phenylpyrrolidin-3-ol
PubChem CID91840279
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name1-[(3-cyclohexylimidazol-4-yl)methyl]-3-phenylpyrrolidin-3-ol
SMILESOC1(c2ccccc2)CCN(Cc2cncn2C2CCCCC2)C1
InChIInChI=1S/C20H27N3O/c24-20(17-7-3-1-4-8-17)11-12-22(15-20)14-19-13-21-16-23(19)18-9-5-2-6-10-18/h1,3-4,7-8,13,16,18,24H,2,5-6,9-12,14-15H2
InChIKeyGZQXLJRIIVXLRV-UHFFFAOYSA-N
XLogP3.48
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4S)-3-benzyl-1-[(3-cyclohexylimidazol-4-yl)methyl]-3-(hydroxymethyl)piperidin-4-ol
CID 134702520
1-[(3-cyclohexylimidazol-4-yl)methyl]-3-prop-2-enylpiperidine-3-carboxylic acid
CID 72931140
1-[(3-cyclopropylimidazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 66142293
1-cyclopentyl-3-phenylpyrrolidin-3-ol
CID 131904194
1-[(3-cyclopentylimidazol-4-yl)methyl]-3-prop-2-enylpiperidine-3-carboxylic acid
CID 72879340
1-[(3-cyclohexylimidazol-4-yl)methyl]-4-(2-methoxyphenyl)piperazine
CID 91831981
1-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]-3-phenylpyrrolidin-3-ol
CID 16674082
(3R)-1-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]-3-phenylpyrrolidin-3-ol
CID 51595829
(3S,9aS)-3-phenyl-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ol
CID 24845925
5-(chloromethyl)-1-cyclohexylimidazole;hydrochloride
CID 53398878
(3S)-1-[(6-methoxy-3-pyridinyl)methyl]-3-phenylpyrrolidin-3-ol
CID 99926029
1-[(3-cyclohexylimidazol-4-yl)methyl]-4-pyrrolidin-3-ylpiperazine;dihydrochloride
CID 154903114

Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclohexylimidazol-4-yl)methyl]-3-phenylpyrrolidin-3-ol?
The IUPAC name of 1-[(3-cyclohexylimidazol-4-yl)methyl]-3-phenylpyrrolidin-3-ol (CID 91840279) is 1-[(3-cyclohexylimidazol-4-yl)methyl]-3-phenylpyrrolidin-3-ol.
What is the SMILES notation for 1-[(3-cyclohexylimidazol-4-yl)methyl]-3-phenylpyrrolidin-3-ol?
The canonical SMILES for 1-[(3-cyclohexylimidazol-4-yl)methyl]-3-phenylpyrrolidin-3-ol is OC1(c2ccccc2)CCN(Cc2cncn2C2CCCCC2)C1.
What is the InChIKey of 1-[(3-cyclohexylimidazol-4-yl)methyl]-3-phenylpyrrolidin-3-ol?
The InChIKey is GZQXLJRIIVXLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c24-20(17-7-3-1-4-8-17)11-12-22(15-20)14-19-13-21-16-23(19)18-9-5-2-6-10-18/h1,3-4,7-8,13,16,18,24H,2,5-6,9-12,14-15H2.
What are the key properties of 1-[(3-cyclohexylimidazol-4-yl)methyl]-3-phenylpyrrolidin-3-ol?
1-[(3-cyclohexylimidazol-4-yl)methyl]-3-phenylpyrrolidin-3-ol has a molecular weight of 325.46 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclohexylimidazol-4-yl)methyl]-3-phenylpyrrolidin-3-ol is sourced from PubChem (CID 91840279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).