1-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine

C18H17ClN4O — CID 168629559

IUPAC1-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine
SMILESCc1cn(N=Cc2cccc(OCc3ccc(Cl)cc3)c2)c(N)n1
InChIInChI=1S/C18H17ClN4O/c1-13-11-23(18(20)22-13)21-10-15-3-2-4-17(9-15)24-12-14-5-7-16(19)8-6-14/h2-11H,12H2,1H3,(H2,20,22)
InChIKeyMSWRHQRAOQWJLG-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.89
Rot. Bonds5

About 1-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine

1-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine (PubChem CID 168629559) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is 1-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine
PubChem CID168629559
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC Name1-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine
SMILESCc1cn(N=Cc2cccc(OCc3ccc(Cl)cc3)c2)c(N)n1
InChIInChI=1S/C18H17ClN4O/c1-13-11-23(18(20)22-13)21-10-15-3-2-4-17(9-15)24-12-14-5-7-16(19)8-6-14/h2-11H,12H2,1H3,(H2,20,22)
InChIKeyMSWRHQRAOQWJLG-UHFFFAOYSA-N
XLogP3.89
TPSA65.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.89
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

4-[[3-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenoxy]methyl]benzonitrile
CID 168629174
1-[[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630092
1-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630176
1-[[3-[(2-bromophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630248
4-methyl-1-[[3-[(3,4,5-trifluorophenoxy)methyl]phenyl]methylideneamino]imidazol-2-amine
CID 168629171
1-[[3-(1,3-dioxolan-2-ylmethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168628993
4-methyl-1-[[3-(trifluoromethoxy)phenyl]methylideneamino]imidazol-2-amine
CID 168628572
(Z)-1-[3-[(4-chlorophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 21381374
4-[(E)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione
CID 110340578
4-methyl-1-[[4-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]methylideneamino]imidazol-2-amine
CID 168629130
1-[(2-methoxy-5-phenylmethoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168630642
(NZ)-N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 91681560

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine?
The IUPAC name of 1-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine (CID 168629559) is 1-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine?
The canonical SMILES for 1-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine is Cc1cn(N=Cc2cccc(OCc3ccc(Cl)cc3)c2)c(N)n1.
What is the InChIKey of 1-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine?
The InChIKey is MSWRHQRAOQWJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O/c1-13-11-23(18(20)22-13)21-10-15-3-2-4-17(9-15)24-12-14-5-7-16(19)8-6-14/h2-11H,12H2,1H3,(H2,20,22).
What are the key properties of 1-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine?
1-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine has a molecular weight of 340.81 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine is sourced from PubChem (CID 168629559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).