4-methyl-1-[[4-(N-methylanilino)phenyl]methylideneamino]imidazol-2-amine

C18H19N5 — CID 168628875

IUPAC4-methyl-1-[[4-(N-methylanilino)phenyl]methylideneamino]imidazol-2-amine
SMILESCc1cn(N=Cc2ccc(N(C)c3ccccc3)cc2)c(N)n1
InChIInChI=1S/C18H19N5/c1-14-13-23(18(19)21-14)20-12-15-8-10-17(11-9-15)22(2)16-6-4-3-5-7-16/h3-13H,1-2H3,(H2,19,21)
InChIKeyZQMPQNRUHVOFGD-UHFFFAOYSA-N
MW305.39 g/mol
LogP3.42
Rot. Bonds4

About 4-methyl-1-[[4-(N-methylanilino)phenyl]methylideneamino]imidazol-2-amine

4-methyl-1-[[4-(N-methylanilino)phenyl]methylideneamino]imidazol-2-amine (PubChem CID 168628875) has the molecular formula C18H19N5 and a molecular weight of 305.39 g/mol. Its IUPAC name is 4-methyl-1-[[4-(N-methylanilino)phenyl]methylideneamino]imidazol-2-amine.

Molecular Properties

Compound Name4-methyl-1-[[4-(N-methylanilino)phenyl]methylideneamino]imidazol-2-amine
PubChem CID168628875
Molecular FormulaC18H19N5
Molecular Weight305.39 g/mol
Exact Mass305.16
IUPAC Name4-methyl-1-[[4-(N-methylanilino)phenyl]methylideneamino]imidazol-2-amine
SMILESCc1cn(N=Cc2ccc(N(C)c3ccccc3)cc2)c(N)n1
InChIInChI=1S/C18H19N5/c1-14-13-23(18(19)21-14)20-12-15-8-10-17(11-9-15)22(2)16-6-4-3-5-7-16/h3-13H,1-2H3,(H2,19,21)
InChIKeyZQMPQNRUHVOFGD-UHFFFAOYSA-N
XLogP3.42
TPSA59.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 53.42
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-(2-chlorophenoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629560
[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenyl]-trifluoroboranuide
CID 168628704
2-[2-[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenyl]phenyl]acetic acid
CID 168629245
4-methyl-1-[(2-phenylquinolin-7-yl)methylideneamino]imidazol-2-amine
CID 168629687
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-[(2-phenylphenyl)methylideneamino]imidazol-2-amine
CID 168628686
1-[(4-chloro-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628669
4-methyl-1-[(4-nonoxyphenyl)methylideneamino]imidazol-2-amine
CID 168628762
4-methyl-1-[[4-(6-methylpyrazin-2-yl)oxyphenyl]methylideneamino]imidazol-2-amine
CID 168631115
[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenyl] propanoate
CID 168630051
1-[(4-iodo-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168631305

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[4-(N-methylanilino)phenyl]methylideneamino]imidazol-2-amine?
The IUPAC name of 4-methyl-1-[[4-(N-methylanilino)phenyl]methylideneamino]imidazol-2-amine (CID 168628875) is 4-methyl-1-[[4-(N-methylanilino)phenyl]methylideneamino]imidazol-2-amine.
What is the SMILES notation for 4-methyl-1-[[4-(N-methylanilino)phenyl]methylideneamino]imidazol-2-amine?
The canonical SMILES for 4-methyl-1-[[4-(N-methylanilino)phenyl]methylideneamino]imidazol-2-amine is Cc1cn(N=Cc2ccc(N(C)c3ccccc3)cc2)c(N)n1.
What is the InChIKey of 4-methyl-1-[[4-(N-methylanilino)phenyl]methylideneamino]imidazol-2-amine?
The InChIKey is ZQMPQNRUHVOFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5/c1-14-13-23(18(19)21-14)20-12-15-8-10-17(11-9-15)22(2)16-6-4-3-5-7-16/h3-13H,1-2H3,(H2,19,21).
What are the key properties of 4-methyl-1-[[4-(N-methylanilino)phenyl]methylideneamino]imidazol-2-amine?
4-methyl-1-[[4-(N-methylanilino)phenyl]methylideneamino]imidazol-2-amine has a molecular weight of 305.39 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[4-(N-methylanilino)phenyl]methylideneamino]imidazol-2-amine is sourced from PubChem (CID 168628875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).