4-methyl-1-[(2-pentoxyphenyl)methylideneamino]imidazol-2-amine

C16H22N4O — CID 168628888

IUPAC4-methyl-1-[(2-pentoxyphenyl)methylideneamino]imidazol-2-amine
SMILESCCCCCOc1ccccc1C=Nn1cc(C)nc1N
InChIInChI=1S/C16H22N4O/c1-3-4-7-10-21-15-9-6-5-8-14(15)11-18-20-12-13(2)19-16(20)17/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3,(H2,17,19)
InChIKeyKSLHWXGOHBGSEQ-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.22
Rot. Bonds7

About 4-methyl-1-[(2-pentoxyphenyl)methylideneamino]imidazol-2-amine

4-methyl-1-[(2-pentoxyphenyl)methylideneamino]imidazol-2-amine (PubChem CID 168628888) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-methyl-1-[(2-pentoxyphenyl)methylideneamino]imidazol-2-amine.

Molecular Properties

Compound Name4-methyl-1-[(2-pentoxyphenyl)methylideneamino]imidazol-2-amine
PubChem CID168628888
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-methyl-1-[(2-pentoxyphenyl)methylideneamino]imidazol-2-amine
SMILESCCCCCOc1ccccc1C=Nn1cc(C)nc1N
InChIInChI=1S/C16H22N4O/c1-3-4-7-10-21-15-9-6-5-8-14(15)11-18-20-12-13(2)19-16(20)17/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3,(H2,17,19)
InChIKeyKSLHWXGOHBGSEQ-UHFFFAOYSA-N
XLogP3.22
TPSA65.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-methyl-1-[(2-pentoxyphenyl)methylideneamino]imidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-1-[(3-methyl-4-pentoxyphenyl)methylideneamino]imidazol-2-amine
CID 168628935
1-[(2-butoxy-5-chlorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628979
1-[(3-chloro-4-pentoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628931
4-methyl-1-[(4-nonoxyphenyl)methylideneamino]imidazol-2-amine
CID 168628762
1-[[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629237
1-[2-[2-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenoxy]ethyl]pyrrolidin-2-one
CID 168630703
[2-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenyl] acetate
CID 168631323
1-[(5-chloro-2-propoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628889
1-[(3,4-difluoro-5-hexoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628950
4-methyl-1-[(2-propylsulfanylphenyl)methylideneamino]imidazol-2-amine
CID 168628990
4-methyl-1-[(2-phenylphenyl)methylideneamino]imidazol-2-amine
CID 168628686
1-[(2-methoxy-5-phenylmethoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168630642

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(2-pentoxyphenyl)methylideneamino]imidazol-2-amine?
The IUPAC name of 4-methyl-1-[(2-pentoxyphenyl)methylideneamino]imidazol-2-amine (CID 168628888) is 4-methyl-1-[(2-pentoxyphenyl)methylideneamino]imidazol-2-amine.
What is the SMILES notation for 4-methyl-1-[(2-pentoxyphenyl)methylideneamino]imidazol-2-amine?
The canonical SMILES for 4-methyl-1-[(2-pentoxyphenyl)methylideneamino]imidazol-2-amine is CCCCCOc1ccccc1C=Nn1cc(C)nc1N.
What is the InChIKey of 4-methyl-1-[(2-pentoxyphenyl)methylideneamino]imidazol-2-amine?
The InChIKey is KSLHWXGOHBGSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-4-7-10-21-15-9-6-5-8-14(15)11-18-20-12-13(2)19-16(20)17/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3,(H2,17,19).
What are the key properties of 4-methyl-1-[(2-pentoxyphenyl)methylideneamino]imidazol-2-amine?
4-methyl-1-[(2-pentoxyphenyl)methylideneamino]imidazol-2-amine has a molecular weight of 286.38 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(2-pentoxyphenyl)methylideneamino]imidazol-2-amine is sourced from PubChem (CID 168628888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).