1-[(2-butoxy-5-chlorophenyl)methylideneamino]-4-methylimidazol-2-amine

C15H19ClN4O — CID 168628979

IUPAC1-[(2-butoxy-5-chlorophenyl)methylideneamino]-4-methylimidazol-2-amine
SMILESCCCCOc1ccc(Cl)cc1C=Nn1cc(C)nc1N
InChIInChI=1S/C15H19ClN4O/c1-3-4-7-21-14-6-5-13(16)8-12(14)9-18-20-10-11(2)19-15(20)17/h5-6,8-10H,3-4,7H2,1-2H3,(H2,17,19)
InChIKeyLQNDANVKBQXFQA-UHFFFAOYSA-N
MW306.80 g/mol
LogP3.49
Rot. Bonds6

About 1-[(2-butoxy-5-chlorophenyl)methylideneamino]-4-methylimidazol-2-amine

1-[(2-butoxy-5-chlorophenyl)methylideneamino]-4-methylimidazol-2-amine (PubChem CID 168628979) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 1-[(2-butoxy-5-chlorophenyl)methylideneamino]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[(2-butoxy-5-chlorophenyl)methylideneamino]-4-methylimidazol-2-amine
PubChem CID168628979
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name1-[(2-butoxy-5-chlorophenyl)methylideneamino]-4-methylimidazol-2-amine
SMILESCCCCOc1ccc(Cl)cc1C=Nn1cc(C)nc1N
InChIInChI=1S/C15H19ClN4O/c1-3-4-7-21-14-6-5-13(16)8-12(14)9-18-20-10-11(2)19-15(20)17/h5-6,8-10H,3-4,7H2,1-2H3,(H2,17,19)
InChIKeyLQNDANVKBQXFQA-UHFFFAOYSA-N
XLogP3.49
TPSA65.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[[5-chloro-2-(3-methylbutoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629803
4-methyl-1-[(2-pentoxyphenyl)methylideneamino]imidazol-2-amine
CID 168628888
1-[(3-chloro-4-pentoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628931
1-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630234
4-methyl-1-[(3-methyl-4-pentoxyphenyl)methylideneamino]imidazol-2-amine
CID 168628935
1-[[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629237
4-methyl-1-[(4-nonoxyphenyl)methylideneamino]imidazol-2-amine
CID 168628762
4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-5-chloro-2-ethoxyphenol
CID 168630716
1-[(3,4-difluoro-5-hexoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628950
1-[(3-bromo-4-butoxy-5-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168630451
1-[(6-ethoxy-2,3-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168630075

Frequently Asked Questions

What is the IUPAC name of 1-[(2-butoxy-5-chlorophenyl)methylideneamino]-4-methylimidazol-2-amine?
The IUPAC name of 1-[(2-butoxy-5-chlorophenyl)methylideneamino]-4-methylimidazol-2-amine (CID 168628979) is 1-[(2-butoxy-5-chlorophenyl)methylideneamino]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[(2-butoxy-5-chlorophenyl)methylideneamino]-4-methylimidazol-2-amine?
The canonical SMILES for 1-[(2-butoxy-5-chlorophenyl)methylideneamino]-4-methylimidazol-2-amine is CCCCOc1ccc(Cl)cc1C=Nn1cc(C)nc1N.
What is the InChIKey of 1-[(2-butoxy-5-chlorophenyl)methylideneamino]-4-methylimidazol-2-amine?
The InChIKey is LQNDANVKBQXFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-3-4-7-21-14-6-5-13(16)8-12(14)9-18-20-10-11(2)19-15(20)17/h5-6,8-10H,3-4,7H2,1-2H3,(H2,17,19).
What are the key properties of 1-[(2-butoxy-5-chlorophenyl)methylideneamino]-4-methylimidazol-2-amine?
1-[(2-butoxy-5-chlorophenyl)methylideneamino]-4-methylimidazol-2-amine has a molecular weight of 306.80 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-butoxy-5-chlorophenyl)methylideneamino]-4-methylimidazol-2-amine is sourced from PubChem (CID 168628979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).