2-[2-[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenyl]phenyl]acetic acid

C19H18N4O2 — CID 168629245

IUPAC2-[2-[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenyl]phenyl]acetic acid
SMILESCc1cn(N=Cc2ccc(-c3ccccc3CC(=O)O)cc2)c(N)n1
InChIInChI=1S/C19H18N4O2/c1-13-12-23(19(20)22-13)21-11-14-6-8-15(9-7-14)17-5-3-2-4-16(17)10-18(24)25/h2-9,11-12H,10H2,1H3,(H2,20,22)(H,24,25)
InChIKeyYKEDHWDBECWUHH-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.95
Rot. Bonds5

About 2-[2-[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenyl]phenyl]acetic acid

2-[2-[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenyl]phenyl]acetic acid (PubChem CID 168629245) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-[2-[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenyl]phenyl]acetic acid
PubChem CID168629245
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name2-[2-[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenyl]phenyl]acetic acid
SMILESCc1cn(N=Cc2ccc(-c3ccccc3CC(=O)O)cc2)c(N)n1
InChIInChI=1S/C19H18N4O2/c1-13-12-23(19(20)22-13)21-11-14-6-8-15(9-7-14)17-5-3-2-4-16(17)10-18(24)25/h2-9,11-12H,10H2,1H3,(H2,20,22)(H,24,25)
InChIKeyYKEDHWDBECWUHH-UHFFFAOYSA-N
XLogP2.95
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-methyl-1-[(2-phenylphenyl)methylideneamino]imidazol-2-amine
CID 168628686
2-[3-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenyl]benzoic acid
CID 168631010
4-methyl-1-[[4-(N-methylanilino)phenyl]methylideneamino]imidazol-2-amine
CID 168628875
[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenyl] propanoate
CID 168630051
5-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-phenylmethoxybenzoic acid
CID 168629671
4-methyl-1-[(2-phenylquinolin-7-yl)methylideneamino]imidazol-2-amine
CID 168629687
[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenyl]-trifluoroboranuide
CID 168628704
4-methyl-1-[[4-(2-methylpropylsulfanyl)phenyl]methylideneamino]imidazol-2-amine
CID 168630371
methyl 3-[2-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenyl]benzoate
CID 168629487
1-[[4-(2-chlorophenoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629560
1-[(3-bromo-4-methylphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628600
[2-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenyl] acetate
CID 168631323

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenyl]phenyl]acetic acid?
The IUPAC name of 2-[2-[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenyl]phenyl]acetic acid (CID 168629245) is 2-[2-[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenyl]phenyl]acetic acid is Cc1cn(N=Cc2ccc(-c3ccccc3CC(=O)O)cc2)c(N)n1.
What is the InChIKey of 2-[2-[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenyl]phenyl]acetic acid?
The InChIKey is YKEDHWDBECWUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-13-12-23(19(20)22-13)21-11-14-6-8-15(9-7-14)17-5-3-2-4-16(17)10-18(24)25/h2-9,11-12H,10H2,1H3,(H2,20,22)(H,24,25).
What are the key properties of 2-[2-[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenyl]phenyl]acetic acid?
2-[2-[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenyl]phenyl]acetic acid has a molecular weight of 334.38 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenyl]phenyl]acetic acid is sourced from PubChem (CID 168629245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).