4-[[2-amino-3-methyl-5-[(4-methylphenyl)methyl]imidazol-4-yl]methyl]phenol

C19H21N3O — CID 126765703

IUPAC4-[[2-amino-3-methyl-5-[(4-methylphenyl)methyl]imidazol-4-yl]methyl]phenol
SMILESCc1ccc(Cc2nc(N)n(C)c2Cc2ccc(O)cc2)cc1
InChIInChI=1S/C19H21N3O/c1-13-3-5-14(6-4-13)11-17-18(22(2)19(20)21-17)12-15-7-9-16(23)10-8-15/h3-10,23H,11-12H2,1-2H3,(H2,20,21)
InChIKeyJFKAKBFQSBPIAE-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.20
Rot. Bonds4

About 4-[[2-amino-3-methyl-5-[(4-methylphenyl)methyl]imidazol-4-yl]methyl]phenol

4-[[2-amino-3-methyl-5-[(4-methylphenyl)methyl]imidazol-4-yl]methyl]phenol (PubChem CID 126765703) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 4-[[2-amino-3-methyl-5-[(4-methylphenyl)methyl]imidazol-4-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[2-amino-3-methyl-5-[(4-methylphenyl)methyl]imidazol-4-yl]methyl]phenol
PubChem CID126765703
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name4-[[2-amino-3-methyl-5-[(4-methylphenyl)methyl]imidazol-4-yl]methyl]phenol
SMILESCc1ccc(Cc2nc(N)n(C)c2Cc2ccc(O)cc2)cc1
InChIInChI=1S/C19H21N3O/c1-13-3-5-14(6-4-13)11-17-18(22(2)19(20)21-17)12-15-7-9-16(23)10-8-15/h3-10,23H,11-12H2,1-2H3,(H2,20,21)
InChIKeyJFKAKBFQSBPIAE-UHFFFAOYSA-N
XLogP3.20
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-amino-3-methyl-5-[(4-methylphenyl)methyl]imidazol-4-yl]methyl]phenol?
The IUPAC name of 4-[[2-amino-3-methyl-5-[(4-methylphenyl)methyl]imidazol-4-yl]methyl]phenol (CID 126765703) is 4-[[2-amino-3-methyl-5-[(4-methylphenyl)methyl]imidazol-4-yl]methyl]phenol.
What is the SMILES notation for 4-[[2-amino-3-methyl-5-[(4-methylphenyl)methyl]imidazol-4-yl]methyl]phenol?
The canonical SMILES for 4-[[2-amino-3-methyl-5-[(4-methylphenyl)methyl]imidazol-4-yl]methyl]phenol is Cc1ccc(Cc2nc(N)n(C)c2Cc2ccc(O)cc2)cc1.
What is the InChIKey of 4-[[2-amino-3-methyl-5-[(4-methylphenyl)methyl]imidazol-4-yl]methyl]phenol?
The InChIKey is JFKAKBFQSBPIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-13-3-5-14(6-4-13)11-17-18(22(2)19(20)21-17)12-15-7-9-16(23)10-8-15/h3-10,23H,11-12H2,1-2H3,(H2,20,21).
What are the key properties of 4-[[2-amino-3-methyl-5-[(4-methylphenyl)methyl]imidazol-4-yl]methyl]phenol?
4-[[2-amino-3-methyl-5-[(4-methylphenyl)methyl]imidazol-4-yl]methyl]phenol has a molecular weight of 307.40 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-amino-3-methyl-5-[(4-methylphenyl)methyl]imidazol-4-yl]methyl]phenol is sourced from PubChem (CID 126765703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).