(S)-(4-fluoro-2-pyrrolidin-1-ylphenyl)-(1H-imidazol-2-yl)methanol

C14H16FN3O — CID 138609624

IUPAC(S)-(4-fluoro-2-pyrrolidin-1-ylphenyl)-(1H-imidazol-2-yl)methanol
SMILESO[C@H](c1ncc[nH]1)c1ccc(F)cc1N1CCCC1
InChIInChI=1S/C14H16FN3O/c15-10-3-4-11(13(19)14-16-5-6-17-14)12(9-10)18-7-1-2-8-18/h3-6,9,13,19H,1-2,7-8H2,(H,16,17)/t13-/m0/s1
InChIKeySUUQCDYQOMBVTO-ZDUSSCGKSA-N
MW261.30 g/mol
LogP2.23
Rot. Bonds3

About (S)-(4-fluoro-2-pyrrolidin-1-ylphenyl)-(1H-imidazol-2-yl)methanol

(S)-(4-fluoro-2-pyrrolidin-1-ylphenyl)-(1H-imidazol-2-yl)methanol (PubChem CID 138609624) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is (S)-(4-fluoro-2-pyrrolidin-1-ylphenyl)-(1H-imidazol-2-yl)methanol.

Molecular Properties

Compound Name(S)-(4-fluoro-2-pyrrolidin-1-ylphenyl)-(1H-imidazol-2-yl)methanol
PubChem CID138609624
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name(S)-(4-fluoro-2-pyrrolidin-1-ylphenyl)-(1H-imidazol-2-yl)methanol
SMILESO[C@H](c1ncc[nH]1)c1ccc(F)cc1N1CCCC1
InChIInChI=1S/C14H16FN3O/c15-10-3-4-11(13(19)14-16-5-6-17-14)12(9-10)18-7-1-2-8-18/h3-6,9,13,19H,1-2,7-8H2,(H,16,17)/t13-/m0/s1
InChIKeySUUQCDYQOMBVTO-ZDUSSCGKSA-N
XLogP2.23
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-(4-fluoro-2-propylphenyl)(1H-imidazol-2-yl)methanol
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AZ8838
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(4-aminophenyl)(1-methyl-1H-imidazol-2-yl)methanol
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(4-ethylphenyl)-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methanol
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(4-ethylphenyl)-[5-(2-fluorophenyl)-1H-imidazol-2-yl]methanol
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(4-tert-butylphenyl)-[5-(3-fluorophenyl)-1H-imidazol-2-yl]methanol
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US10550089, Example 14
CID 132117478
US10550089, Example 18
CID 132126404
US10550089, Example 60
CID 132132224
1H-imidazol-2-yl(phenyl)methanol
CID 3407115
phenyl-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methanol
CID 46942875
(4-fluorophenyl)-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methanol
CID 46943500

Frequently Asked Questions

What is the IUPAC name of (S)-(4-fluoro-2-pyrrolidin-1-ylphenyl)-(1H-imidazol-2-yl)methanol?
The IUPAC name of (S)-(4-fluoro-2-pyrrolidin-1-ylphenyl)-(1H-imidazol-2-yl)methanol (CID 138609624) is (S)-(4-fluoro-2-pyrrolidin-1-ylphenyl)-(1H-imidazol-2-yl)methanol.
What is the SMILES notation for (S)-(4-fluoro-2-pyrrolidin-1-ylphenyl)-(1H-imidazol-2-yl)methanol?
The canonical SMILES for (S)-(4-fluoro-2-pyrrolidin-1-ylphenyl)-(1H-imidazol-2-yl)methanol is O[C@H](c1ncc[nH]1)c1ccc(F)cc1N1CCCC1.
What is the InChIKey of (S)-(4-fluoro-2-pyrrolidin-1-ylphenyl)-(1H-imidazol-2-yl)methanol?
The InChIKey is SUUQCDYQOMBVTO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H16FN3O/c15-10-3-4-11(13(19)14-16-5-6-17-14)12(9-10)18-7-1-2-8-18/h3-6,9,13,19H,1-2,7-8H2,(H,16,17)/t13-/m0/s1.
What are the key properties of (S)-(4-fluoro-2-pyrrolidin-1-ylphenyl)-(1H-imidazol-2-yl)methanol?
(S)-(4-fluoro-2-pyrrolidin-1-ylphenyl)-(1H-imidazol-2-yl)methanol has a molecular weight of 261.30 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(4-fluoro-2-pyrrolidin-1-ylphenyl)-(1H-imidazol-2-yl)methanol is sourced from PubChem (CID 138609624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).