[3-[(4-ethylphenyl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine

C17H23N3O — CID 106901108

IUPAC[3-[(4-ethylphenyl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
SMILESCCc1ccc(Cn2cncc2C(N)C2CCOC2)cc1
InChIInChI=1S/C17H23N3O/c1-2-13-3-5-14(6-4-13)10-20-12-19-9-16(20)17(18)15-7-8-21-11-15/h3-6,9,12,15,17H,2,7-8,10-11,18H2,1H3
InChIKeyUSFBSSHXKWYGIS-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.53
Rot. Bonds5

About [3-[(4-ethylphenyl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine

[3-[(4-ethylphenyl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine (PubChem CID 106901108) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is [3-[(4-ethylphenyl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine.

Molecular Properties

Compound Name[3-[(4-ethylphenyl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
PubChem CID106901108
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name[3-[(4-ethylphenyl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
SMILESCCc1ccc(Cn2cncc2C(N)C2CCOC2)cc1
InChIInChI=1S/C17H23N3O/c1-2-13-3-5-14(6-4-13)10-20-12-19-9-16(20)17(18)15-7-8-21-11-15/h3-6,9,12,15,17H,2,7-8,10-11,18H2,1H3
InChIKeyUSFBSSHXKWYGIS-UHFFFAOYSA-N
XLogP2.53
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-[(4-ethylphenyl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine 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

[3-[(4-chlorophenyl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114715939
[3-[(6-methoxy-3-pyridinyl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114720287
[3-[(5-chlorothiophen-2-yl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114720958
[3-(cyclopropylmethyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114717405
[3-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 103013049
[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 102909124
[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114716681
[3-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114718953
[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 106410300
[3-(1,4-dioxan-2-ylmethyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114718342
3-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-N-methylpropanamide
CID 114719199
[3-(2,2-dimethylheptyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114721340

Frequently Asked Questions

What is the IUPAC name of [3-[(4-ethylphenyl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine?
The IUPAC name of [3-[(4-ethylphenyl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine (CID 106901108) is [3-[(4-ethylphenyl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine.
What is the SMILES notation for [3-[(4-ethylphenyl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine?
The canonical SMILES for [3-[(4-ethylphenyl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine is CCc1ccc(Cn2cncc2C(N)C2CCOC2)cc1.
What is the InChIKey of [3-[(4-ethylphenyl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine?
The InChIKey is USFBSSHXKWYGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-2-13-3-5-14(6-4-13)10-20-12-19-9-16(20)17(18)15-7-8-21-11-15/h3-6,9,12,15,17H,2,7-8,10-11,18H2,1H3.
What are the key properties of [3-[(4-ethylphenyl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine?
[3-[(4-ethylphenyl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine has a molecular weight of 285.39 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-ethylphenyl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine is sourced from PubChem (CID 106901108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).