3-[[2-[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]imidazol-1-yl]methyl]pyrrolidin-3-ol

C21H21ClFN3O2 — CID 154571233

IUPAC3-[[2-[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]imidazol-1-yl]methyl]pyrrolidin-3-ol
SMILESOC1(Cn2ccnc2-c2ccccc2OCc2c(F)cccc2Cl)CCNC1
InChIInChI=1S/C21H21ClFN3O2/c22-17-5-3-6-18(23)16(17)12-28-19-7-2-1-4-15(19)20-25-10-11-26(20)14-21(27)8-9-24-13-21/h1-7,10-11,24,27H,8-9,12-14H2
InChIKeyRULDOIGCATWASC-UHFFFAOYSA-N
MW401.87 g/mol
LogP3.65
Rot. Bonds6

About 3-[[2-[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]imidazol-1-yl]methyl]pyrrolidin-3-ol

3-[[2-[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]imidazol-1-yl]methyl]pyrrolidin-3-ol (PubChem CID 154571233) has the molecular formula C21H21ClFN3O2 and a molecular weight of 401.87 g/mol. Its IUPAC name is 3-[[2-[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]imidazol-1-yl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-[[2-[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]imidazol-1-yl]methyl]pyrrolidin-3-ol
PubChem CID154571233
Molecular FormulaC21H21ClFN3O2
Molecular Weight401.87 g/mol
Exact Mass401.13
IUPAC Name3-[[2-[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]imidazol-1-yl]methyl]pyrrolidin-3-ol
SMILESOC1(Cn2ccnc2-c2ccccc2OCc2c(F)cccc2Cl)CCNC1
InChIInChI=1S/C21H21ClFN3O2/c22-17-5-3-6-18(23)16(17)12-28-19-7-2-1-4-15(19)20-25-10-11-26(20)14-21(27)8-9-24-13-21/h1-7,10-11,24,27H,8-9,12-14H2
InChIKeyRULDOIGCATWASC-UHFFFAOYSA-N
XLogP3.65
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.87
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-ol
CID 62786575
1-[[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol
CID 131950566
acetic acid;3-[(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)methyl]pyrrolidin-3-ol
CID 155972300
3-[[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazol-1-yl]methyl]piperidin-3-ol;hydrochloride
CID 154920567
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2-[2-(2-chloro-6-fluorophenyl)imidazol-1-yl]ethanol
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2-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine
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1-[(2-chloro-6-fluorophenyl)methyl]-2-thiophen-2-ylimidazole
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CID 60723029
(1R,2S,6R,7S)-10-[[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methyl]-4,10-diazatricyclo[5.2.1.02,6]decane;dihydrochloride
CID 154909138
3-[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-amine
CID 170878344
4-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]-3-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 66540389

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]imidazol-1-yl]methyl]pyrrolidin-3-ol?
The IUPAC name of 3-[[2-[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]imidazol-1-yl]methyl]pyrrolidin-3-ol (CID 154571233) is 3-[[2-[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]imidazol-1-yl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 3-[[2-[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]imidazol-1-yl]methyl]pyrrolidin-3-ol?
The canonical SMILES for 3-[[2-[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]imidazol-1-yl]methyl]pyrrolidin-3-ol is OC1(Cn2ccnc2-c2ccccc2OCc2c(F)cccc2Cl)CCNC1.
What is the InChIKey of 3-[[2-[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]imidazol-1-yl]methyl]pyrrolidin-3-ol?
The InChIKey is RULDOIGCATWASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClFN3O2/c22-17-5-3-6-18(23)16(17)12-28-19-7-2-1-4-15(19)20-25-10-11-26(20)14-21(27)8-9-24-13-21/h1-7,10-11,24,27H,8-9,12-14H2.
What are the key properties of 3-[[2-[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]imidazol-1-yl]methyl]pyrrolidin-3-ol?
3-[[2-[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]imidazol-1-yl]methyl]pyrrolidin-3-ol has a molecular weight of 401.87 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]imidazol-1-yl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 154571233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).