4-methyl-1-[(2-phenylquinolin-7-yl)methylideneamino]imidazol-2-amine

C20H17N5 — CID 168629687

IUPAC4-methyl-1-[(2-phenylquinolin-7-yl)methylideneamino]imidazol-2-amine
SMILESCc1cn(N=Cc2ccc3ccc(-c4ccccc4)nc3c2)c(N)n1
InChIInChI=1S/C20H17N5/c1-14-13-25(20(21)23-14)22-12-15-7-8-17-9-10-18(24-19(17)11-15)16-5-3-2-4-6-16/h2-13H,1H3,(H2,21,23)
InChIKeyUYCIBASSJSCNKZ-UHFFFAOYSA-N
MW327.39 g/mol
LogP3.87
Rot. Bonds3

About 4-methyl-1-[(2-phenylquinolin-7-yl)methylideneamino]imidazol-2-amine

4-methyl-1-[(2-phenylquinolin-7-yl)methylideneamino]imidazol-2-amine (PubChem CID 168629687) has the molecular formula C20H17N5 and a molecular weight of 327.39 g/mol. Its IUPAC name is 4-methyl-1-[(2-phenylquinolin-7-yl)methylideneamino]imidazol-2-amine.

Molecular Properties

Compound Name4-methyl-1-[(2-phenylquinolin-7-yl)methylideneamino]imidazol-2-amine
PubChem CID168629687
Molecular FormulaC20H17N5
Molecular Weight327.39 g/mol
Exact Mass327.15
IUPAC Name4-methyl-1-[(2-phenylquinolin-7-yl)methylideneamino]imidazol-2-amine
SMILESCc1cn(N=Cc2ccc3ccc(-c4ccccc4)nc3c2)c(N)n1
InChIInChI=1S/C20H17N5/c1-14-13-25(20(21)23-14)22-12-15-7-8-17-9-10-18(24-19(17)11-15)16-5-3-2-4-6-16/h2-13H,1H3,(H2,21,23)
InChIKeyUYCIBASSJSCNKZ-UHFFFAOYSA-N
XLogP3.87
TPSA69.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 53.87
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-methyl-1-[(2-methylindazol-6-yl)methylideneamino]imidazol-2-amine
CID 168630728
2-[3-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenyl]benzoic acid
CID 168631010
1-[(3-bromo-4-methylphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628600
1-[(6-methoxynaphthalen-2-yl)methylideneamino]-4-methylimidazol-2-amine
CID 168628492
4-methyl-1-[[4-(N-methylanilino)phenyl]methylideneamino]imidazol-2-amine
CID 168628875
4-methyl-1-[(1-methylbenzimidazol-5-yl)methylideneamino]imidazol-2-amine
CID 168629654
4-methyl-1-[(2-phenylphenyl)methylideneamino]imidazol-2-amine
CID 168628686
1-[(4-iodo-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168631305
4-methyl-1-[(3-thiophen-2-ylphenyl)methylideneamino]imidazol-2-amine
CID 168629485
[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenyl]-trifluoroboranuide
CID 168628704
4-methyl-1-[(3-methylbenzimidazol-5-yl)methylideneamino]imidazol-2-amine
CID 168629653
1-[(4-chloro-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628669

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(2-phenylquinolin-7-yl)methylideneamino]imidazol-2-amine?
The IUPAC name of 4-methyl-1-[(2-phenylquinolin-7-yl)methylideneamino]imidazol-2-amine (CID 168629687) is 4-methyl-1-[(2-phenylquinolin-7-yl)methylideneamino]imidazol-2-amine.
What is the SMILES notation for 4-methyl-1-[(2-phenylquinolin-7-yl)methylideneamino]imidazol-2-amine?
The canonical SMILES for 4-methyl-1-[(2-phenylquinolin-7-yl)methylideneamino]imidazol-2-amine is Cc1cn(N=Cc2ccc3ccc(-c4ccccc4)nc3c2)c(N)n1.
What is the InChIKey of 4-methyl-1-[(2-phenylquinolin-7-yl)methylideneamino]imidazol-2-amine?
The InChIKey is UYCIBASSJSCNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5/c1-14-13-25(20(21)23-14)22-12-15-7-8-17-9-10-18(24-19(17)11-15)16-5-3-2-4-6-16/h2-13H,1H3,(H2,21,23).
What are the key properties of 4-methyl-1-[(2-phenylquinolin-7-yl)methylideneamino]imidazol-2-amine?
4-methyl-1-[(2-phenylquinolin-7-yl)methylideneamino]imidazol-2-amine has a molecular weight of 327.39 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(2-phenylquinolin-7-yl)methylideneamino]imidazol-2-amine is sourced from PubChem (CID 168629687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).