2-[[[5-(4-fluorophenyl)-1-methylimidazol-2-yl]amino]methyl]phenol;oxalic acid

C19H18FN3O5 — CID 163327488

IUPAC2-[[[5-(4-fluorophenyl)-1-methylimidazol-2-yl]amino]methyl]phenol;oxalic acid
SMILESCn1c(-c2ccc(F)cc2)cnc1NCc1ccccc1O.O=C(O)C(=O)O
InChIInChI=1S/C17H16FN3O.C2H2O4/c1-21-15(12-6-8-14(18)9-7-12)11-20-17(21)19-10-13-4-2-3-5-16(13)22;3-1(4)2(5)6/h2-9,11,22H,10H2,1H3,(H,19,20);(H,3,4)(H,5,6)
InChIKeyKVAHURJDVLLBJJ-UHFFFAOYSA-N
MW387.37 g/mol
LogP2.70
Rot. Bonds4

About 2-[[[5-(4-fluorophenyl)-1-methylimidazol-2-yl]amino]methyl]phenol;oxalic acid

2-[[[5-(4-fluorophenyl)-1-methylimidazol-2-yl]amino]methyl]phenol;oxalic acid (PubChem CID 163327488) has the molecular formula C19H18FN3O5 and a molecular weight of 387.37 g/mol. Its IUPAC name is 2-[[[5-(4-fluorophenyl)-1-methylimidazol-2-yl]amino]methyl]phenol;oxalic acid.

Molecular Properties

Compound Name2-[[[5-(4-fluorophenyl)-1-methylimidazol-2-yl]amino]methyl]phenol;oxalic acid
PubChem CID163327488
Molecular FormulaC19H18FN3O5
Molecular Weight387.37 g/mol
Exact Mass387.12
IUPAC Name2-[[[5-(4-fluorophenyl)-1-methylimidazol-2-yl]amino]methyl]phenol;oxalic acid
SMILESCn1c(-c2ccc(F)cc2)cnc1NCc1ccccc1O.O=C(O)C(=O)O
InChIInChI=1S/C17H16FN3O.C2H2O4/c1-21-15(12-6-8-14(18)9-7-12)11-20-17(21)19-10-13-4-2-3-5-16(13)22;3-1(4)2(5)6/h2-9,11,22H,10H2,1H3,(H,19,20);(H,3,4)(H,5,6)
InChIKeyKVAHURJDVLLBJJ-UHFFFAOYSA-N
XLogP2.70
TPSA124.68 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.37
LogP ≤ 52.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[[[1-methyl-5-(4-phenylphenyl)imidazol-2-yl]amino]methyl]phenol
CID 3533703
2-[[[5-(3,4-dimethylphenyl)-1-methylimidazol-2-yl]amino]methyl]phenol;oxalic acid
CID 163326889
N-[(2-fluorophenyl)methyl]-1-methyl-5-(4-phenylphenyl)imidazol-2-amine
CID 4654948
5-(4-fluorophenyl)-1-methyl-N-(pyridin-3-ylmethyl)imidazol-2-amine;oxalic acid
CID 163327483
N-[(2-ethoxyphenyl)methyl]-1-methyl-5-(4-phenylphenyl)imidazol-2-amine;oxalic acid
CID 163327759
N-[(2-fluorophenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine
CID 3643106
N-[(4-fluorophenyl)methyl]-1-methyl-5-phenylimidazol-2-amine
CID 1096454
5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-methylimidazol-2-amine
CID 1096489
N-[(2-chlorophenyl)methyl]-5-(4-ethoxyphenyl)-1-methylimidazol-2-amine;oxalic acid
CID 163326908
1-methyl-5-(4-methylphenyl)-N-[(4-methylphenyl)methyl]imidazol-2-amine;oxalic acid
CID 163327528
N-[(2,6-dichlorophenyl)methyl]-1-methyl-5-phenylimidazol-2-amine;oxalic acid
CID 163327080
1-methyl-N-[(4-methylsulfanylphenyl)methyl]-5-phenylimidazol-2-amine;oxalic acid
CID 126460493

Frequently Asked Questions

What is the IUPAC name of 2-[[[5-(4-fluorophenyl)-1-methylimidazol-2-yl]amino]methyl]phenol;oxalic acid?
The IUPAC name of 2-[[[5-(4-fluorophenyl)-1-methylimidazol-2-yl]amino]methyl]phenol;oxalic acid (CID 163327488) is 2-[[[5-(4-fluorophenyl)-1-methylimidazol-2-yl]amino]methyl]phenol;oxalic acid.
What is the SMILES notation for 2-[[[5-(4-fluorophenyl)-1-methylimidazol-2-yl]amino]methyl]phenol;oxalic acid?
The canonical SMILES for 2-[[[5-(4-fluorophenyl)-1-methylimidazol-2-yl]amino]methyl]phenol;oxalic acid is Cn1c(-c2ccc(F)cc2)cnc1NCc1ccccc1O.O=C(O)C(=O)O.
What is the InChIKey of 2-[[[5-(4-fluorophenyl)-1-methylimidazol-2-yl]amino]methyl]phenol;oxalic acid?
The InChIKey is KVAHURJDVLLBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O.C2H2O4/c1-21-15(12-6-8-14(18)9-7-12)11-20-17(21)19-10-13-4-2-3-5-16(13)22;3-1(4)2(5)6/h2-9,11,22H,10H2,1H3,(H,19,20);(H,3,4)(H,5,6).
What are the key properties of 2-[[[5-(4-fluorophenyl)-1-methylimidazol-2-yl]amino]methyl]phenol;oxalic acid?
2-[[[5-(4-fluorophenyl)-1-methylimidazol-2-yl]amino]methyl]phenol;oxalic acid has a molecular weight of 387.37 g/mol, XLogP of 2.70, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[5-(4-fluorophenyl)-1-methylimidazol-2-yl]amino]methyl]phenol;oxalic acid is sourced from PubChem (CID 163327488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).