2-[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-methoxyphenoxy]-N-cyclohexylacetamide

C20H27N5O3 — CID 168630621

IUPAC2-[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-methoxyphenoxy]-N-cyclohexylacetamide
SMILESCOc1cc(C=Nn2cc(C)nc2N)ccc1OCC(=O)NC1CCCCC1
InChIInChI=1S/C20H27N5O3/c1-14-12-25(20(21)23-14)22-11-15-8-9-17(18(10-15)27-2)28-13-19(26)24-16-6-4-3-5-7-16/h8-12,16H,3-7,13H2,1-2H3,(H2,21,23)(H,24,26)
InChIKeySPGWLBIAOICTPO-UHFFFAOYSA-N
MW385.47 g/mol
LogP2.49
Rot. Bonds7

About 2-[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-methoxyphenoxy]-N-cyclohexylacetamide

2-[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-methoxyphenoxy]-N-cyclohexylacetamide (PubChem CID 168630621) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is 2-[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-methoxyphenoxy]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-methoxyphenoxy]-N-cyclohexylacetamide
PubChem CID168630621
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC Name2-[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-methoxyphenoxy]-N-cyclohexylacetamide
SMILESCOc1cc(C=Nn2cc(C)nc2N)ccc1OCC(=O)NC1CCCCC1
InChIInChI=1S/C20H27N5O3/c1-14-12-25(20(21)23-14)22-11-15-8-9-17(18(10-15)27-2)28-13-19(26)24-16-6-4-3-5-7-16/h8-12,16H,3-7,13H2,1-2H3,(H2,21,23)(H,24,26)
InChIKeySPGWLBIAOICTPO-UHFFFAOYSA-N
XLogP2.49
TPSA103.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-methoxyphenoxy]-N-cyclohexylacetamide 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

methyl 2-[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-methoxyphenoxy]acetate
CID 168629904
2-[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-methoxyphenoxy]-N,N-diethylacetamide
CID 168630145
1-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630629
2-[4-[(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-cyclohexylacetamide
CID 168533377
ethyl 2-[2-[2-[[4-[2-(cyclohexylamino)-2-oxoethoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168624723
1-[(4-iodo-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168631305
N-cyclopropyl-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 7973430
2-(4-acetyl-2-methoxyphenoxy)-N-cyclooctylacetamide
CID 7962262
N-cyclohexyl-2-[4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-2-methoxyphenoxy]acetamide
CID 168599253
ethyl 4-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]piperidine-1-carboxylate
CID 46798927
N-cyclohexyl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 18083381
N-cyclopentyl-2-[4-(1-hydroxyethyl)-2-methoxyphenoxy]acetamide
CID 43416744

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-methoxyphenoxy]-N-cyclohexylacetamide?
The IUPAC name of 2-[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-methoxyphenoxy]-N-cyclohexylacetamide (CID 168630621) is 2-[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-methoxyphenoxy]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-methoxyphenoxy]-N-cyclohexylacetamide?
The canonical SMILES for 2-[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-methoxyphenoxy]-N-cyclohexylacetamide is COc1cc(C=Nn2cc(C)nc2N)ccc1OCC(=O)NC1CCCCC1.
What is the InChIKey of 2-[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-methoxyphenoxy]-N-cyclohexylacetamide?
The InChIKey is SPGWLBIAOICTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-14-12-25(20(21)23-14)22-11-15-8-9-17(18(10-15)27-2)28-13-19(26)24-16-6-4-3-5-7-16/h8-12,16H,3-7,13H2,1-2H3,(H2,21,23)(H,24,26).
What are the key properties of 2-[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-methoxyphenoxy]-N-cyclohexylacetamide?
2-[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-methoxyphenoxy]-N-cyclohexylacetamide has a molecular weight of 385.47 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-methoxyphenoxy]-N-cyclohexylacetamide is sourced from PubChem (CID 168630621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).