1-[[4-(2-chlorophenoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine

C17H15ClN4O — CID 168629560

IUPAC1-[[4-(2-chlorophenoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
SMILESCc1cn(N=Cc2ccc(Oc3ccccc3Cl)cc2)c(N)n1
InChIInChI=1S/C17H15ClN4O/c1-12-11-22(17(19)21-12)20-10-13-6-8-14(9-7-13)23-16-5-3-2-4-15(16)18/h2-11H,1H3,(H2,19,21)
InChIKeyASLKXZFBSGCOSR-UHFFFAOYSA-N
MW326.79 g/mol
LogP4.10
Rot. Bonds4

About 1-[[4-(2-chlorophenoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine

1-[[4-(2-chlorophenoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine (PubChem CID 168629560) has the molecular formula C17H15ClN4O and a molecular weight of 326.79 g/mol. Its IUPAC name is 1-[[4-(2-chlorophenoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[[4-(2-chlorophenoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
PubChem CID168629560
Molecular FormulaC17H15ClN4O
Molecular Weight326.79 g/mol
Exact Mass326.09
IUPAC Name1-[[4-(2-chlorophenoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
SMILESCc1cn(N=Cc2ccc(Oc3ccccc3Cl)cc2)c(N)n1
InChIInChI=1S/C17H15ClN4O/c1-12-11-22(17(19)21-12)20-10-13-6-8-14(9-7-13)23-16-5-3-2-4-15(16)18/h2-11H,1H3,(H2,19,21)
InChIKeyASLKXZFBSGCOSR-UHFFFAOYSA-N
XLogP4.10
TPSA65.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.79
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-chloro-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628669
4-methyl-1-[[4-(6-methylpyrazin-2-yl)oxyphenyl]methylideneamino]imidazol-2-amine
CID 168631115
4-methyl-1-[[4-(N-methylanilino)phenyl]methylideneamino]imidazol-2-amine
CID 168628875
1-[[4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630766
1-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630176
1-[(6-methoxynaphthalen-2-yl)methylideneamino]-4-methylimidazol-2-amine
CID 168628492
[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenyl] propanoate
CID 168630051
4-methyl-1-[(4-nonoxyphenyl)methylideneamino]imidazol-2-amine
CID 168628762
4-methyl-1-[[4-[(3-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]imidazol-2-amine
CID 168631151
1-[[4-[(2,6-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630181
[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenyl]-trifluoroboranuide
CID 168628704
1-[(3-chloro-4-pentoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628931

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-chlorophenoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine?
The IUPAC name of 1-[[4-(2-chlorophenoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine (CID 168629560) is 1-[[4-(2-chlorophenoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[[4-(2-chlorophenoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine?
The canonical SMILES for 1-[[4-(2-chlorophenoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine is Cc1cn(N=Cc2ccc(Oc3ccccc3Cl)cc2)c(N)n1.
What is the InChIKey of 1-[[4-(2-chlorophenoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine?
The InChIKey is ASLKXZFBSGCOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O/c1-12-11-22(17(19)21-12)20-10-13-6-8-14(9-7-13)23-16-5-3-2-4-15(16)18/h2-11H,1H3,(H2,19,21).
What are the key properties of 1-[[4-(2-chlorophenoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine?
1-[[4-(2-chlorophenoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine has a molecular weight of 326.79 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-chlorophenoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine is sourced from PubChem (CID 168629560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).