3-methyl-4-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]phenol

C15H19N3O — CID 114720897

IUPAC3-methyl-4-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]phenol
SMILESCc1cc(O)ccc1-n1cncc1C1(C)CCNC1
InChIInChI=1S/C15H19N3O/c1-11-7-12(19)3-4-13(11)18-10-17-8-14(18)15(2)5-6-16-9-15/h3-4,7-8,10,16,19H,5-6,9H2,1-2H3
InChIKeyQEVDTJCDUIDIMW-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.14
Rot. Bonds2

About 3-methyl-4-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]phenol

3-methyl-4-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]phenol (PubChem CID 114720897) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-methyl-4-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]phenol.

Molecular Properties

Compound Name3-methyl-4-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]phenol
PubChem CID114720897
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-methyl-4-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]phenol
SMILESCc1cc(O)ccc1-n1cncc1C1(C)CCNC1
InChIInChI=1S/C15H19N3O/c1-11-7-12(19)3-4-13(11)18-10-17-8-14(18)15(2)5-6-16-9-15/h3-4,7-8,10,16,19H,5-6,9H2,1-2H3
InChIKeyQEVDTJCDUIDIMW-UHFFFAOYSA-N
XLogP2.14
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]phenol?
The IUPAC name of 3-methyl-4-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]phenol (CID 114720897) is 3-methyl-4-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]phenol.
What is the SMILES notation for 3-methyl-4-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]phenol?
The canonical SMILES for 3-methyl-4-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]phenol is Cc1cc(O)ccc1-n1cncc1C1(C)CCNC1.
What is the InChIKey of 3-methyl-4-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]phenol?
The InChIKey is QEVDTJCDUIDIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11-7-12(19)3-4-13(11)18-10-17-8-14(18)15(2)5-6-16-9-15/h3-4,7-8,10,16,19H,5-6,9H2,1-2H3.
What are the key properties of 3-methyl-4-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]phenol?
3-methyl-4-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]phenol has a molecular weight of 257.34 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]phenol is sourced from PubChem (CID 114720897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).