3-benzyl-5-(1-methoxyethyl)imidazol-4-amine

C13H17N3O — CID 130862307

IUPAC3-benzyl-5-(1-methoxyethyl)imidazol-4-amine
SMILESCOC(C)c1ncn(Cc2ccccc2)c1N
InChIInChI=1S/C13H17N3O/c1-10(17-2)12-13(14)16(9-15-12)8-11-6-4-3-5-7-11/h3-7,9-10H,8,14H2,1-2H3
InChIKeyHFYHIZBTEHVMGD-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.22
Rot. Bonds4

About 3-benzyl-5-(1-methoxyethyl)imidazol-4-amine

3-benzyl-5-(1-methoxyethyl)imidazol-4-amine (PubChem CID 130862307) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-benzyl-5-(1-methoxyethyl)imidazol-4-amine.

Molecular Properties

Compound Name3-benzyl-5-(1-methoxyethyl)imidazol-4-amine
PubChem CID130862307
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name3-benzyl-5-(1-methoxyethyl)imidazol-4-amine
SMILESCOC(C)c1ncn(Cc2ccccc2)c1N
InChIInChI=1S/C13H17N3O/c1-10(17-2)12-13(14)16(9-15-12)8-11-6-4-3-5-7-11/h3-7,9-10H,8,14H2,1-2H3
InChIKeyHFYHIZBTEHVMGD-UHFFFAOYSA-N
XLogP2.22
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzyl-5-ethylimidazol-4-amine
CID 58192367
3-benzyl-5-(2,6-difluorophenyl)imidazol-4-amine
CID 62019787
3-benzyl-5-(2-fluorophenyl)imidazol-4-amine
CID 62017944
1-benzyl-3,5-bis[(1S)-1-methoxyethyl]-1,2,4-triazole
CID 102034682
methyl 2-[(5-amino-1-benzylimidazole-4-carbonyl)amino]hexanoate
CID 10807407
3-benzyl-5-(2,3-dichlorophenyl)imidazol-4-amine
CID 62017945
3-benzyl-5-(3-ethyl-1-methylpyrazol-4-yl)imidazol-4-amine
CID 115990627
3-benzyl-6-methyl-5-propan-2-ylpyrimidin-4-one
CID 141080903
3-(2-methylpropyl)-5-phenylimidazol-4-amine
CID 62017938
1-benzyl-4-propan-2-ylpyrazol-5-amine
CID 126480379
3-benzyl-5-(3-chloro-2-fluorophenyl)imidazol-4-amine
CID 114488563
1-benzyl-5-methoxybenzimidazole
CID 10900689

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-(1-methoxyethyl)imidazol-4-amine?
The IUPAC name of 3-benzyl-5-(1-methoxyethyl)imidazol-4-amine (CID 130862307) is 3-benzyl-5-(1-methoxyethyl)imidazol-4-amine.
What is the SMILES notation for 3-benzyl-5-(1-methoxyethyl)imidazol-4-amine?
The canonical SMILES for 3-benzyl-5-(1-methoxyethyl)imidazol-4-amine is COC(C)c1ncn(Cc2ccccc2)c1N.
What is the InChIKey of 3-benzyl-5-(1-methoxyethyl)imidazol-4-amine?
The InChIKey is HFYHIZBTEHVMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-10(17-2)12-13(14)16(9-15-12)8-11-6-4-3-5-7-11/h3-7,9-10H,8,14H2,1-2H3.
What are the key properties of 3-benzyl-5-(1-methoxyethyl)imidazol-4-amine?
3-benzyl-5-(1-methoxyethyl)imidazol-4-amine has a molecular weight of 231.30 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-(1-methoxyethyl)imidazol-4-amine is sourced from PubChem (CID 130862307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).