3-[4-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]-2-pyridinyl]phenol

C20H22N4O — CID 50954402

IUPAC3-[4-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]-2-pyridinyl]phenol
SMILESCn1ccnc1CN1CCC(c2ccnc(-c3cccc(O)c3)c2)C1
InChIInChI=1S/C20H22N4O/c1-23-10-8-22-20(23)14-24-9-6-17(13-24)15-5-7-21-19(12-15)16-3-2-4-18(25)11-16/h2-5,7-8,10-12,17,25H,6,9,13-14H2,1H3
InChIKeyDDWPQFWGQGYOFY-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.18
Rot. Bonds4

About 3-[4-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]-2-pyridinyl]phenol

3-[4-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]-2-pyridinyl]phenol (PubChem CID 50954402) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-[4-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]-2-pyridinyl]phenol.

Molecular Properties

Compound Name3-[4-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]-2-pyridinyl]phenol
PubChem CID50954402
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name3-[4-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]-2-pyridinyl]phenol
SMILESCn1ccnc1CN1CCC(c2ccnc(-c3cccc(O)c3)c2)C1
InChIInChI=1S/C20H22N4O/c1-23-10-8-22-20(23)14-24-9-6-17(13-24)15-5-7-21-19(12-15)16-3-2-4-18(25)11-16/h2-5,7-8,10-12,17,25H,6,9,13-14H2,1H3
InChIKeyDDWPQFWGQGYOFY-UHFFFAOYSA-N
XLogP3.18
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]-2-pyridinyl]phenol?
The IUPAC name of 3-[4-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]-2-pyridinyl]phenol (CID 50954402) is 3-[4-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]-2-pyridinyl]phenol.
What is the SMILES notation for 3-[4-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]-2-pyridinyl]phenol?
The canonical SMILES for 3-[4-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]-2-pyridinyl]phenol is Cn1ccnc1CN1CCC(c2ccnc(-c3cccc(O)c3)c2)C1.
What is the InChIKey of 3-[4-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]-2-pyridinyl]phenol?
The InChIKey is DDWPQFWGQGYOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-23-10-8-22-20(23)14-24-9-6-17(13-24)15-5-7-21-19(12-15)16-3-2-4-18(25)11-16/h2-5,7-8,10-12,17,25H,6,9,13-14H2,1H3.
What are the key properties of 3-[4-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]-2-pyridinyl]phenol?
3-[4-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]-2-pyridinyl]phenol has a molecular weight of 334.42 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]-2-pyridinyl]phenol is sourced from PubChem (CID 50954402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).