1-[[5-chloro-2-(3-methylbutoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine

C16H21ClN4O — CID 168629803

IUPAC1-[[5-chloro-2-(3-methylbutoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
SMILESCc1cn(N=Cc2cc(Cl)ccc2OCCC(C)C)c(N)n1
InChIInChI=1S/C16H21ClN4O/c1-11(2)6-7-22-15-5-4-14(17)8-13(15)9-19-21-10-12(3)20-16(21)18/h4-5,8-11H,6-7H2,1-3H3,(H2,18,20)
InChIKeyZKLLRXNBTXRBEM-UHFFFAOYSA-N
MW320.82 g/mol
LogP3.73
Rot. Bonds6

About 1-[[5-chloro-2-(3-methylbutoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine

1-[[5-chloro-2-(3-methylbutoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine (PubChem CID 168629803) has the molecular formula C16H21ClN4O and a molecular weight of 320.82 g/mol. Its IUPAC name is 1-[[5-chloro-2-(3-methylbutoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[[5-chloro-2-(3-methylbutoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
PubChem CID168629803
Molecular FormulaC16H21ClN4O
Molecular Weight320.82 g/mol
Exact Mass320.14
IUPAC Name1-[[5-chloro-2-(3-methylbutoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
SMILESCc1cn(N=Cc2cc(Cl)ccc2OCCC(C)C)c(N)n1
InChIInChI=1S/C16H21ClN4O/c1-11(2)6-7-22-15-5-4-14(17)8-13(15)9-19-21-10-12(3)20-16(21)18/h4-5,8-11H,6-7H2,1-3H3,(H2,18,20)
InChIKeyZKLLRXNBTXRBEM-UHFFFAOYSA-N
XLogP3.73
TPSA65.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 53.73
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-[(5-chloro-2-propoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628889
1-[(2-butoxy-5-chlorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628979
1-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630234
1-[[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629237
1-[(3-chloro-4-pentoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628931
2-[[5-chloro-2-(3-methylbutoxy)phenyl]methylideneamino]guanidine
CID 168592723
4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-5-chloro-2-ethoxyphenol
CID 168630716
1-[(3-chloro-2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628790
1-[(6-ethoxy-2,3-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168630075
1-[[4-(difluoromethoxy)-3-fluorophenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168628835
1-[(4-chloro-2,5-dimethylphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168629507
1-[(5-bromo-2-fluorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168600756

Frequently Asked Questions

What is the IUPAC name of 1-[[5-chloro-2-(3-methylbutoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine?
The IUPAC name of 1-[[5-chloro-2-(3-methylbutoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine (CID 168629803) is 1-[[5-chloro-2-(3-methylbutoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[[5-chloro-2-(3-methylbutoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine?
The canonical SMILES for 1-[[5-chloro-2-(3-methylbutoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine is Cc1cn(N=Cc2cc(Cl)ccc2OCCC(C)C)c(N)n1.
What is the InChIKey of 1-[[5-chloro-2-(3-methylbutoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine?
The InChIKey is ZKLLRXNBTXRBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O/c1-11(2)6-7-22-15-5-4-14(17)8-13(15)9-19-21-10-12(3)20-16(21)18/h4-5,8-11H,6-7H2,1-3H3,(H2,18,20).
What are the key properties of 1-[[5-chloro-2-(3-methylbutoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine?
1-[[5-chloro-2-(3-methylbutoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine has a molecular weight of 320.82 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-chloro-2-(3-methylbutoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine is sourced from PubChem (CID 168629803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).