1-[[2-(azepan-1-ylmethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine

C18H25N5 — CID 168629078

IUPAC1-[[2-(azepan-1-ylmethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine
SMILESCc1cn(N=Cc2ccccc2CN2CCCCCC2)c(N)n1
InChIInChI=1S/C18H25N5/c1-15-13-23(18(19)21-15)20-12-16-8-4-5-9-17(16)14-22-10-6-2-3-7-11-22/h4-5,8-9,12-13H,2-3,6-7,10-11,14H2,1H3,(H2,19,21)
InChIKeyMEBGFTDJNMLNQE-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.03
Rot. Bonds4

About 1-[[2-(azepan-1-ylmethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine

1-[[2-(azepan-1-ylmethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine (PubChem CID 168629078) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-[[2-(azepan-1-ylmethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[[2-(azepan-1-ylmethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine
PubChem CID168629078
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC Name1-[[2-(azepan-1-ylmethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine
SMILESCc1cn(N=Cc2ccccc2CN2CCCCCC2)c(N)n1
InChIInChI=1S/C18H25N5/c1-15-13-23(18(19)21-15)20-12-16-8-4-5-9-17(16)14-22-10-6-2-3-7-11-22/h4-5,8-9,12-13H,2-3,6-7,10-11,14H2,1H3,(H2,19,21)
InChIKeyMEBGFTDJNMLNQE-UHFFFAOYSA-N
XLogP3.03
TPSA59.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.03
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-(4-benzylpiperazin-1-yl)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629658
1-[(2-cyclopropylphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168629566
4-methyl-1-[(2-propylsulfanylphenyl)methylideneamino]imidazol-2-amine
CID 168628990
1-[2-[2-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenoxy]ethyl]pyrrolidin-2-one
CID 168630703
4-methyl-1-[(2-pentoxyphenyl)methylideneamino]imidazol-2-amine
CID 168628888
1-[[3-fluoro-4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629050
[2-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenyl] acetate
CID 168631323
2-N-[[2-(piperidin-1-ylmethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625974
1-[(5-bromo-2-ethylphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628874
2-[2-[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenyl]phenyl]acetic acid
CID 168629245
3-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-nitrobenzoic acid
CID 168630884
4-methyl-1-[(2,4,6-triethylphenyl)methylideneamino]imidazol-2-amine
CID 168630428

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(azepan-1-ylmethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine?
The IUPAC name of 1-[[2-(azepan-1-ylmethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine (CID 168629078) is 1-[[2-(azepan-1-ylmethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[[2-(azepan-1-ylmethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine?
The canonical SMILES for 1-[[2-(azepan-1-ylmethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine is Cc1cn(N=Cc2ccccc2CN2CCCCCC2)c(N)n1.
What is the InChIKey of 1-[[2-(azepan-1-ylmethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine?
The InChIKey is MEBGFTDJNMLNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5/c1-15-13-23(18(19)21-15)20-12-16-8-4-5-9-17(16)14-22-10-6-2-3-7-11-22/h4-5,8-9,12-13H,2-3,6-7,10-11,14H2,1H3,(H2,19,21).
What are the key properties of 1-[[2-(azepan-1-ylmethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine?
1-[[2-(azepan-1-ylmethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine has a molecular weight of 311.43 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(azepan-1-ylmethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine is sourced from PubChem (CID 168629078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).