1-[(4-chloro-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine

C12H13ClN4O — CID 168628669

IUPAC1-[(4-chloro-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
SMILESCOc1cc(C=Nn2cc(C)nc2N)ccc1Cl
InChIInChI=1S/C12H13ClN4O/c1-8-7-17(12(14)16-8)15-6-9-3-4-10(13)11(5-9)18-2/h3-7H,1-2H3,(H2,14,16)
InChIKeyQOSPRXRHXXOLNA-UHFFFAOYSA-N
MW264.72 g/mol
LogP2.32
Rot. Bonds3

About 1-[(4-chloro-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine

1-[(4-chloro-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine (PubChem CID 168628669) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 1-[(4-chloro-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[(4-chloro-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
PubChem CID168628669
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name1-[(4-chloro-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
SMILESCOc1cc(C=Nn2cc(C)nc2N)ccc1Cl
InChIInChI=1S/C12H13ClN4O/c1-8-7-17(12(14)16-8)15-6-9-3-4-10(13)11(5-9)18-2/h3-7H,1-2H3,(H2,14,16)
InChIKeyQOSPRXRHXXOLNA-UHFFFAOYSA-N
XLogP2.32
TPSA65.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 52.32
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-iodo-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168631305
1-[[3-methoxy-4-(trifluoromethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630067
1-[(6-methoxynaphthalen-2-yl)methylideneamino]-4-methylimidazol-2-amine
CID 168628492
1-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630629
1-[[4-(2-chlorophenoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629560
methyl 2-[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-methoxyphenoxy]acetate
CID 168629904
1-[[3-[(4-chloropyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629441
1-[(3-chloro-4-pentoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628931
1-[[3-[[bis(prop-2-enyl)amino]methyl]-4-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629415
3-[[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-methoxyphenoxy]methyl]-4-methoxybenzaldehyde
CID 168630555
1-[(3-bromo-4-methylphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628600
1-[[4-bromo-3-(trifluoromethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168631150

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine?
The IUPAC name of 1-[(4-chloro-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine (CID 168628669) is 1-[(4-chloro-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[(4-chloro-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine?
The canonical SMILES for 1-[(4-chloro-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine is COc1cc(C=Nn2cc(C)nc2N)ccc1Cl.
What is the InChIKey of 1-[(4-chloro-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine?
The InChIKey is QOSPRXRHXXOLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-8-7-17(12(14)16-8)15-6-9-3-4-10(13)11(5-9)18-2/h3-7H,1-2H3,(H2,14,16).
What are the key properties of 1-[(4-chloro-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine?
1-[(4-chloro-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine has a molecular weight of 264.72 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine is sourced from PubChem (CID 168628669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).