4-[[2-amino-5-[(4-methoxyphenyl)methyl]-3-methylimidazol-4-yl]methyl]phenol

C19H21N3O2 — CID 10019087

IUPAC4-[[2-amino-5-[(4-methoxyphenyl)methyl]-3-methylimidazol-4-yl]methyl]phenol
SMILESCOc1ccc(Cc2nc(N)n(C)c2Cc2ccc(O)cc2)cc1
InChIInChI=1S/C19H21N3O2/c1-22-18(12-14-3-7-15(23)8-4-14)17(21-19(22)20)11-13-5-9-16(24-2)10-6-13/h3-10,23H,11-12H2,1-2H3,(H2,20,21)
InChIKeyUKDSUTMIUKSRCH-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.90
Rot. Bonds5

About 4-[[2-amino-5-[(4-methoxyphenyl)methyl]-3-methylimidazol-4-yl]methyl]phenol

4-[[2-amino-5-[(4-methoxyphenyl)methyl]-3-methylimidazol-4-yl]methyl]phenol (PubChem CID 10019087) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-[[2-amino-5-[(4-methoxyphenyl)methyl]-3-methylimidazol-4-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[2-amino-5-[(4-methoxyphenyl)methyl]-3-methylimidazol-4-yl]methyl]phenol
PubChem CID10019087
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name4-[[2-amino-5-[(4-methoxyphenyl)methyl]-3-methylimidazol-4-yl]methyl]phenol
SMILESCOc1ccc(Cc2nc(N)n(C)c2Cc2ccc(O)cc2)cc1
InChIInChI=1S/C19H21N3O2/c1-22-18(12-14-3-7-15(23)8-4-14)17(21-19(22)20)11-13-5-9-16(24-2)10-6-13/h3-10,23H,11-12H2,1-2H3,(H2,20,21)
InChIKeyUKDSUTMIUKSRCH-UHFFFAOYSA-N
XLogP2.90
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-amino-5-[(4-methoxyphenyl)methyl]-3-methylimidazol-4-yl]methyl]phenol?
The IUPAC name of 4-[[2-amino-5-[(4-methoxyphenyl)methyl]-3-methylimidazol-4-yl]methyl]phenol (CID 10019087) is 4-[[2-amino-5-[(4-methoxyphenyl)methyl]-3-methylimidazol-4-yl]methyl]phenol.
What is the SMILES notation for 4-[[2-amino-5-[(4-methoxyphenyl)methyl]-3-methylimidazol-4-yl]methyl]phenol?
The canonical SMILES for 4-[[2-amino-5-[(4-methoxyphenyl)methyl]-3-methylimidazol-4-yl]methyl]phenol is COc1ccc(Cc2nc(N)n(C)c2Cc2ccc(O)cc2)cc1.
What is the InChIKey of 4-[[2-amino-5-[(4-methoxyphenyl)methyl]-3-methylimidazol-4-yl]methyl]phenol?
The InChIKey is UKDSUTMIUKSRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-22-18(12-14-3-7-15(23)8-4-14)17(21-19(22)20)11-13-5-9-16(24-2)10-6-13/h3-10,23H,11-12H2,1-2H3,(H2,20,21).
What are the key properties of 4-[[2-amino-5-[(4-methoxyphenyl)methyl]-3-methylimidazol-4-yl]methyl]phenol?
4-[[2-amino-5-[(4-methoxyphenyl)methyl]-3-methylimidazol-4-yl]methyl]phenol has a molecular weight of 323.40 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-amino-5-[(4-methoxyphenyl)methyl]-3-methylimidazol-4-yl]methyl]phenol is sourced from PubChem (CID 10019087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).