1-[[2-(4-benzylpiperazin-1-yl)phenyl]methylideneamino]-4-methylimidazol-2-amine

C22H26N6 — CID 168629658

IUPAC1-[[2-(4-benzylpiperazin-1-yl)phenyl]methylideneamino]-4-methylimidazol-2-amine
SMILESCc1cn(N=Cc2ccccc2N2CCN(Cc3ccccc3)CC2)c(N)n1
InChIInChI=1S/C22H26N6/c1-18-16-28(22(23)25-18)24-15-20-9-5-6-10-21(20)27-13-11-26(12-14-27)17-19-7-3-2-4-8-19/h2-10,15-16H,11-14,17H2,1H3,(H2,23,25)
InChIKeyYEFZXJZTYATRJO-UHFFFAOYSA-N
MW374.49 g/mol
LogP2.98
Rot. Bonds5

About 1-[[2-(4-benzylpiperazin-1-yl)phenyl]methylideneamino]-4-methylimidazol-2-amine

1-[[2-(4-benzylpiperazin-1-yl)phenyl]methylideneamino]-4-methylimidazol-2-amine (PubChem CID 168629658) has the molecular formula C22H26N6 and a molecular weight of 374.49 g/mol. Its IUPAC name is 1-[[2-(4-benzylpiperazin-1-yl)phenyl]methylideneamino]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[[2-(4-benzylpiperazin-1-yl)phenyl]methylideneamino]-4-methylimidazol-2-amine
PubChem CID168629658
Molecular FormulaC22H26N6
Molecular Weight374.49 g/mol
Exact Mass374.22
IUPAC Name1-[[2-(4-benzylpiperazin-1-yl)phenyl]methylideneamino]-4-methylimidazol-2-amine
SMILESCc1cn(N=Cc2ccccc2N2CCN(Cc3ccccc3)CC2)c(N)n1
InChIInChI=1S/C22H26N6/c1-18-16-28(22(23)25-18)24-15-20-9-5-6-10-21(20)27-13-11-26(12-14-27)17-19-7-3-2-4-8-19/h2-10,15-16H,11-14,17H2,1H3,(H2,23,25)
InChIKeyYEFZXJZTYATRJO-UHFFFAOYSA-N
XLogP2.98
TPSA62.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[[2-(azepan-1-ylmethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629078
1-[(2-cyclopropylphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168629566
4-methyl-1-[(2-phenylphenyl)methylideneamino]imidazol-2-amine
CID 168628686
1-[[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629237
4-methyl-1-[(2-propylsulfanylphenyl)methylideneamino]imidazol-2-amine
CID 168628990
(Z)-3-[2-(4-benzylpiperazin-1-yl)phenyl]prop-2-enamide
CID 170876705
[2-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenyl] acetate
CID 168631323
(E)-N-(4-benzylpiperazin-1-yl)-1-(2-fluorophenyl)methanimine
CID 5342676
3-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-nitrobenzoic acid
CID 168630884
1-[(2-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168629406
5-(4-benzylpiperazin-1-yl)-4-methylpyridin-2-amine
CID 83970332
1-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168629407

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-benzylpiperazin-1-yl)phenyl]methylideneamino]-4-methylimidazol-2-amine?
The IUPAC name of 1-[[2-(4-benzylpiperazin-1-yl)phenyl]methylideneamino]-4-methylimidazol-2-amine (CID 168629658) is 1-[[2-(4-benzylpiperazin-1-yl)phenyl]methylideneamino]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[[2-(4-benzylpiperazin-1-yl)phenyl]methylideneamino]-4-methylimidazol-2-amine?
The canonical SMILES for 1-[[2-(4-benzylpiperazin-1-yl)phenyl]methylideneamino]-4-methylimidazol-2-amine is Cc1cn(N=Cc2ccccc2N2CCN(Cc3ccccc3)CC2)c(N)n1.
What is the InChIKey of 1-[[2-(4-benzylpiperazin-1-yl)phenyl]methylideneamino]-4-methylimidazol-2-amine?
The InChIKey is YEFZXJZTYATRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6/c1-18-16-28(22(23)25-18)24-15-20-9-5-6-10-21(20)27-13-11-26(12-14-27)17-19-7-3-2-4-8-19/h2-10,15-16H,11-14,17H2,1H3,(H2,23,25).
What are the key properties of 1-[[2-(4-benzylpiperazin-1-yl)phenyl]methylideneamino]-4-methylimidazol-2-amine?
1-[[2-(4-benzylpiperazin-1-yl)phenyl]methylideneamino]-4-methylimidazol-2-amine has a molecular weight of 374.49 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-benzylpiperazin-1-yl)phenyl]methylideneamino]-4-methylimidazol-2-amine is sourced from PubChem (CID 168629658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).