[4-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]phenyl]methanol

C14H17N3O — CID 104943673

IUPAC[4-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]phenyl]methanol
SMILESOCc1ccc(-n2cncc2[C@@H]2CCCN2)cc1
InChIInChI=1S/C14H17N3O/c18-9-11-3-5-12(6-4-11)17-10-15-8-14(17)13-2-1-7-16-13/h3-6,8,10,13,16,18H,1-2,7,9H2/t13-/m0/s1
InChIKeyPFFOFKNTWAGYGN-ZDUSSCGKSA-N
MW243.31 g/mol
LogP1.79
Rot. Bonds3

About [4-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]phenyl]methanol

[4-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]phenyl]methanol (PubChem CID 104943673) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is [4-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]phenyl]methanol
PubChem CID104943673
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name[4-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]phenyl]methanol
SMILESOCc1ccc(-n2cncc2[C@@H]2CCCN2)cc1
InChIInChI=1S/C14H17N3O/c18-9-11-3-5-12(6-4-11)17-10-15-8-14(17)13-2-1-7-16-13/h3-6,8,10,13,16,18H,1-2,7,9H2/t13-/m0/s1
InChIKeyPFFOFKNTWAGYGN-ZDUSSCGKSA-N
XLogP1.79
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-propylphenyl)-5-pyrrolidin-2-ylimidazole
CID 114702494
1-phenyl-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104942009
4-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]pyridine
CID 104942033
1-(4-methylsulfanylphenyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104941741
3-(5-pyrrolidin-2-ylimidazol-1-yl)pyridine
CID 114703701
1-[4-(difluoromethoxy)phenyl]-5-pyrrolidin-2-ylimidazole
CID 114703835
1-(4-propan-2-yloxyphenyl)-5-pyrrolidin-2-ylimidazole
CID 114704020
1-(4-bromo-3-fluorophenyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943237
1-(1,3-benzodioxol-5-yl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104941461
5-pyrrolidin-2-yl-1-[3-(trifluoromethyl)phenyl]imidazole
CID 114703043
2-methoxy-5-(5-piperidin-2-ylimidazol-1-yl)pyridine
CID 114702661
1-(4-ethoxy-3-fluorophenyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943687

Frequently Asked Questions

What is the IUPAC name of [4-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]phenyl]methanol?
The IUPAC name of [4-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]phenyl]methanol (CID 104943673) is [4-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]phenyl]methanol.
What is the SMILES notation for [4-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]phenyl]methanol?
The canonical SMILES for [4-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]phenyl]methanol is OCc1ccc(-n2cncc2[C@@H]2CCCN2)cc1.
What is the InChIKey of [4-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]phenyl]methanol?
The InChIKey is PFFOFKNTWAGYGN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H17N3O/c18-9-11-3-5-12(6-4-11)17-10-15-8-14(17)13-2-1-7-16-13/h3-6,8,10,13,16,18H,1-2,7,9H2/t13-/m0/s1.
What are the key properties of [4-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]phenyl]methanol?
[4-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]phenyl]methanol has a molecular weight of 243.31 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]phenyl]methanol is sourced from PubChem (CID 104943673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).