3-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]cyclobutan-1-amine

C15H19N3O — CID 116877941

IUPAC3-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]cyclobutan-1-amine
SMILESCOc1ccc(C)cc1-c1cnc(C2CC(N)C2)[nH]1
InChIInChI=1S/C15H19N3O/c1-9-3-4-14(19-2)12(5-9)13-8-17-15(18-13)10-6-11(16)7-10/h3-5,8,10-11H,6-7,16H2,1-2H3,(H,17,18)
InChIKeyBQHGPPNOGVYCKM-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.60
Rot. Bonds3

About 3-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]cyclobutan-1-amine

3-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]cyclobutan-1-amine (PubChem CID 116877941) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]cyclobutan-1-amine
PubChem CID116877941
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]cyclobutan-1-amine
SMILESCOc1ccc(C)cc1-c1cnc(C2CC(N)C2)[nH]1
InChIInChI=1S/C15H19N3O/c1-9-3-4-14(19-2)12(5-9)13-8-17-15(18-13)10-6-11(16)7-10/h3-5,8,10-11H,6-7,16H2,1-2H3,(H,17,18)
InChIKeyBQHGPPNOGVYCKM-UHFFFAOYSA-N
XLogP2.60
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-(2-methoxy-5-methylphenyl)-1H-imidazole
CID 116884225
2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]ethanamine
CID 43650904
[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]methanethiol
CID 116879145
3-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]propan-1-amine
CID 43650816
N-[2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine
CID 60867500
2-amino-2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]acetic acid
CID 116881469
3-(2-methoxy-5-methylphenyl)cyclopentan-1-amine
CID 64505766
4-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]piperidine
CID 95474427
3-[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]cyclohexan-1-amine
CID 55147512
2-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]piperidine
CID 43651094
2-(4-methoxypyrrolidin-2-yl)-5-(2,4,5-trimethylphenyl)-1H-imidazole
CID 62796313
2-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]propan-2-amine
CID 65459802

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]cyclobutan-1-amine?
The IUPAC name of 3-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]cyclobutan-1-amine (CID 116877941) is 3-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]cyclobutan-1-amine?
The canonical SMILES for 3-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]cyclobutan-1-amine is COc1ccc(C)cc1-c1cnc(C2CC(N)C2)[nH]1.
What is the InChIKey of 3-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]cyclobutan-1-amine?
The InChIKey is BQHGPPNOGVYCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-9-3-4-14(19-2)12(5-9)13-8-17-15(18-13)10-6-11(16)7-10/h3-5,8,10-11H,6-7,16H2,1-2H3,(H,17,18).
What are the key properties of 3-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]cyclobutan-1-amine?
3-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]cyclobutan-1-amine has a molecular weight of 257.34 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]cyclobutan-1-amine is sourced from PubChem (CID 116877941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).