1-[(5-chloro-2-propoxyphenyl)methylideneamino]-4-methylimidazol-2-amine

C14H17ClN4O — CID 168628889

IUPAC1-[(5-chloro-2-propoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
SMILESCCCOc1ccc(Cl)cc1C=Nn1cc(C)nc1N
InChIInChI=1S/C14H17ClN4O/c1-3-6-20-13-5-4-12(15)7-11(13)8-17-19-9-10(2)18-14(19)16/h4-5,7-9H,3,6H2,1-2H3,(H2,16,18)
InChIKeyRVLLDYQUMPUABJ-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.10
Rot. Bonds5

About 1-[(5-chloro-2-propoxyphenyl)methylideneamino]-4-methylimidazol-2-amine

1-[(5-chloro-2-propoxyphenyl)methylideneamino]-4-methylimidazol-2-amine (PubChem CID 168628889) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 1-[(5-chloro-2-propoxyphenyl)methylideneamino]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[(5-chloro-2-propoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
PubChem CID168628889
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name1-[(5-chloro-2-propoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
SMILESCCCOc1ccc(Cl)cc1C=Nn1cc(C)nc1N
InChIInChI=1S/C14H17ClN4O/c1-3-6-20-13-5-4-12(15)7-11(13)8-17-19-9-10(2)18-14(19)16/h4-5,7-9H,3,6H2,1-2H3,(H2,16,18)
InChIKeyRVLLDYQUMPUABJ-UHFFFAOYSA-N
XLogP3.10
TPSA65.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.10
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-[(2-butoxy-5-chlorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628979
1-[[5-chloro-2-(3-methylbutoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629803
1-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630234
1-[(3-chloro-4-pentoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628931
4-methyl-1-[(2-pentoxyphenyl)methylideneamino]imidazol-2-amine
CID 168628888
1-[[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629237
4-methyl-1-[(3-methyl-4-pentoxyphenyl)methylideneamino]imidazol-2-amine
CID 168628935
4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-5-chloro-2-ethoxyphenol
CID 168630716
1-[(6-ethoxy-2,3-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168630075
1-[(3-chloro-2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628790
1-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168630190
1-[(3,4-difluoro-5-hexoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628950

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-propoxyphenyl)methylideneamino]-4-methylimidazol-2-amine?
The IUPAC name of 1-[(5-chloro-2-propoxyphenyl)methylideneamino]-4-methylimidazol-2-amine (CID 168628889) is 1-[(5-chloro-2-propoxyphenyl)methylideneamino]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[(5-chloro-2-propoxyphenyl)methylideneamino]-4-methylimidazol-2-amine?
The canonical SMILES for 1-[(5-chloro-2-propoxyphenyl)methylideneamino]-4-methylimidazol-2-amine is CCCOc1ccc(Cl)cc1C=Nn1cc(C)nc1N.
What is the InChIKey of 1-[(5-chloro-2-propoxyphenyl)methylideneamino]-4-methylimidazol-2-amine?
The InChIKey is RVLLDYQUMPUABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-3-6-20-13-5-4-12(15)7-11(13)8-17-19-9-10(2)18-14(19)16/h4-5,7-9H,3,6H2,1-2H3,(H2,16,18).
What are the key properties of 1-[(5-chloro-2-propoxyphenyl)methylideneamino]-4-methylimidazol-2-amine?
1-[(5-chloro-2-propoxyphenyl)methylideneamino]-4-methylimidazol-2-amine has a molecular weight of 292.77 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-propoxyphenyl)methylideneamino]-4-methylimidazol-2-amine is sourced from PubChem (CID 168628889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).