(3R)-1-[(1-benzylimidazol-2-yl)methyl]-3-phenylpyrrolidin-3-ol

C21H23N3O — CID 124753933

IUPAC(3R)-1-[(1-benzylimidazol-2-yl)methyl]-3-phenylpyrrolidin-3-ol
SMILESO[C@@]1(c2ccccc2)CCN(Cc2nccn2Cc2ccccc2)C1
InChIInChI=1S/C21H23N3O/c25-21(19-9-5-2-6-10-19)11-13-23(17-21)16-20-22-12-14-24(20)15-18-7-3-1-4-8-18/h1-10,12,14,25H,11,13,15-17H2/t21-/m0/s1
InChIKeyMWWPNIVWWJVHQG-NRFANRHFSA-N
MW333.44 g/mol
LogP3.02
Rot. Bonds5

About (3R)-1-[(1-benzylimidazol-2-yl)methyl]-3-phenylpyrrolidin-3-ol

(3R)-1-[(1-benzylimidazol-2-yl)methyl]-3-phenylpyrrolidin-3-ol (PubChem CID 124753933) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is (3R)-1-[(1-benzylimidazol-2-yl)methyl]-3-phenylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[(1-benzylimidazol-2-yl)methyl]-3-phenylpyrrolidin-3-ol
PubChem CID124753933
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name(3R)-1-[(1-benzylimidazol-2-yl)methyl]-3-phenylpyrrolidin-3-ol
SMILESO[C@@]1(c2ccccc2)CCN(Cc2nccn2Cc2ccccc2)C1
InChIInChI=1S/C21H23N3O/c25-21(19-9-5-2-6-10-19)11-13-23(17-21)16-20-22-12-14-24(20)15-18-7-3-1-4-8-18/h1-10,12,14,25H,11,13,15-17H2/t21-/m0/s1
InChIKeyMWWPNIVWWJVHQG-NRFANRHFSA-N
XLogP3.02
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4S)-1-[(1-benzylimidazol-2-yl)methyl]-3,4-dimethylpiperidin-4-ol
CID 72869391
[1-[(1-benzylimidazol-2-yl)methyl]-3-ethylpiperidin-3-yl]methanol
CID 70756981
1-[(1-benzylimidazol-2-yl)methyl]piperidin-4-ol
CID 110887635
(3R)-1-benzyl-3-(4-methoxyphenyl)piperidin-3-ol
CID 92976626
(3S)-1-[(6-methoxy-3-pyridinyl)methyl]-3-phenylpyrrolidin-3-ol
CID 99926029
methyl 4-[(1-benzylimidazol-2-yl)methyl]piperazine-1-carboxylate
CID 78900342
1-benzyl-3-(4-fluorophenyl)piperidin-3-ol;hydrochloride
CID 139758416
1-[(3-methylsulfanylphenyl)methyl]-3-phenylpyrrolidin-3-ol
CID 74241252
1-[(1-benzylimidazol-2-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine
CID 91830071
(6R)-1-[(1-benzylimidazol-2-yl)methyl]-4-(3-hydroxypropyl)-1,4-diazepan-6-ol
CID 100599963
1-benzyl-4-(4-fluorophenyl)piperidin-4-ol;hydrochloride
CID 71627119
(4R)-1-benzyl-3,3-difluoro-4-phenylpiperidin-4-ol
CID 97357069

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(1-benzylimidazol-2-yl)methyl]-3-phenylpyrrolidin-3-ol?
The IUPAC name of (3R)-1-[(1-benzylimidazol-2-yl)methyl]-3-phenylpyrrolidin-3-ol (CID 124753933) is (3R)-1-[(1-benzylimidazol-2-yl)methyl]-3-phenylpyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[(1-benzylimidazol-2-yl)methyl]-3-phenylpyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[(1-benzylimidazol-2-yl)methyl]-3-phenylpyrrolidin-3-ol is O[C@@]1(c2ccccc2)CCN(Cc2nccn2Cc2ccccc2)C1.
What is the InChIKey of (3R)-1-[(1-benzylimidazol-2-yl)methyl]-3-phenylpyrrolidin-3-ol?
The InChIKey is MWWPNIVWWJVHQG-NRFANRHFSA-N. The full InChI is InChI=1S/C21H23N3O/c25-21(19-9-5-2-6-10-19)11-13-23(17-21)16-20-22-12-14-24(20)15-18-7-3-1-4-8-18/h1-10,12,14,25H,11,13,15-17H2/t21-/m0/s1.
What are the key properties of (3R)-1-[(1-benzylimidazol-2-yl)methyl]-3-phenylpyrrolidin-3-ol?
(3R)-1-[(1-benzylimidazol-2-yl)methyl]-3-phenylpyrrolidin-3-ol has a molecular weight of 333.44 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(1-benzylimidazol-2-yl)methyl]-3-phenylpyrrolidin-3-ol is sourced from PubChem (CID 124753933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).