[5-(5-chloro-4-ethoxy-2-methylphenyl)-1H-imidazol-2-yl]methanamine

C13H16ClN3O — CID 82304282

IUPAC[5-(5-chloro-4-ethoxy-2-methylphenyl)-1H-imidazol-2-yl]methanamine
SMILESCCOc1cc(C)c(-c2cnc(CN)[nH]2)cc1Cl
InChIInChI=1S/C13H16ClN3O/c1-3-18-12-4-8(2)9(5-10(12)14)11-7-16-13(6-15)17-11/h4-5,7H,3,6,15H2,1-2H3,(H,16,17)
InChIKeyPPPICRVIMDMSNT-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.90
Rot. Bonds4

About [5-(5-chloro-4-ethoxy-2-methylphenyl)-1H-imidazol-2-yl]methanamine

[5-(5-chloro-4-ethoxy-2-methylphenyl)-1H-imidazol-2-yl]methanamine (PubChem CID 82304282) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is [5-(5-chloro-4-ethoxy-2-methylphenyl)-1H-imidazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(5-chloro-4-ethoxy-2-methylphenyl)-1H-imidazol-2-yl]methanamine
PubChem CID82304282
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name[5-(5-chloro-4-ethoxy-2-methylphenyl)-1H-imidazol-2-yl]methanamine
SMILESCCOc1cc(C)c(-c2cnc(CN)[nH]2)cc1Cl
InChIInChI=1S/C13H16ClN3O/c1-3-18-12-4-8(2)9(5-10(12)14)11-7-16-13(6-15)17-11/h4-5,7H,3,6,15H2,1-2H3,(H,16,17)
InChIKeyPPPICRVIMDMSNT-UHFFFAOYSA-N
XLogP2.90
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-(5-chloro-4-methoxy-2-methylphenyl)-1H-imidazole
CID 116884397
2-(5-chloro-4-ethoxy-2-methylphenyl)pyrimidin-5-amine
CID 82303511
5-(5-chloro-4-methoxy-2-methylphenyl)-2-methoxy-1H-imidazole
CID 116883699
2-[5-(5-chloro-2-methoxy-4-methylphenyl)-1H-imidazol-2-yl]ethanamine
CID 82304273
[5-(5-chloro-4-ethoxy-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 82487457
3-(5-chloro-4-ethoxy-2-methylphenyl)-5-methyl-1H-pyrazol-4-amine
CID 82486859
5-(5-chloro-4-ethoxy-2-methylphenyl)-1,2-oxazol-3-amine
CID 82481596
1-[5-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine
CID 95475764
4-(5-chloro-4-ethoxy-2-methylphenyl)-6-methyl-1,3,5-triazin-2-amine
CID 98022071
[5-(2-methoxyphenyl)-1H-imidazol-2-yl]methanamine
CID 43649243
[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]methanamine
CID 82285154
1,4-dichloro-2-ethoxy-5-methylbenzene
CID 18335146

Frequently Asked Questions

What is the IUPAC name of [5-(5-chloro-4-ethoxy-2-methylphenyl)-1H-imidazol-2-yl]methanamine?
The IUPAC name of [5-(5-chloro-4-ethoxy-2-methylphenyl)-1H-imidazol-2-yl]methanamine (CID 82304282) is [5-(5-chloro-4-ethoxy-2-methylphenyl)-1H-imidazol-2-yl]methanamine.
What is the SMILES notation for [5-(5-chloro-4-ethoxy-2-methylphenyl)-1H-imidazol-2-yl]methanamine?
The canonical SMILES for [5-(5-chloro-4-ethoxy-2-methylphenyl)-1H-imidazol-2-yl]methanamine is CCOc1cc(C)c(-c2cnc(CN)[nH]2)cc1Cl.
What is the InChIKey of [5-(5-chloro-4-ethoxy-2-methylphenyl)-1H-imidazol-2-yl]methanamine?
The InChIKey is PPPICRVIMDMSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-3-18-12-4-8(2)9(5-10(12)14)11-7-16-13(6-15)17-11/h4-5,7H,3,6,15H2,1-2H3,(H,16,17).
What are the key properties of [5-(5-chloro-4-ethoxy-2-methylphenyl)-1H-imidazol-2-yl]methanamine?
[5-(5-chloro-4-ethoxy-2-methylphenyl)-1H-imidazol-2-yl]methanamine has a molecular weight of 265.74 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-chloro-4-ethoxy-2-methylphenyl)-1H-imidazol-2-yl]methanamine is sourced from PubChem (CID 82304282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).