1-[[5-(2-methylphenyl)imidazol-1-yl]methyl]cyclobutan-1-amine

C15H19N3 — CID 103354345

IUPAC1-[[5-(2-methylphenyl)imidazol-1-yl]methyl]cyclobutan-1-amine
SMILESCc1ccccc1-c1cncn1CC1(N)CCC1
InChIInChI=1S/C15H19N3/c1-12-5-2-3-6-13(12)14-9-17-11-18(14)10-15(16)7-4-8-15/h2-3,5-6,9,11H,4,7-8,10,16H2,1H3
InChIKeyNFQSIGSHYAFORX-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.74
Rot. Bonds3

About 1-[[5-(2-methylphenyl)imidazol-1-yl]methyl]cyclobutan-1-amine

1-[[5-(2-methylphenyl)imidazol-1-yl]methyl]cyclobutan-1-amine (PubChem CID 103354345) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 1-[[5-(2-methylphenyl)imidazol-1-yl]methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[[5-(2-methylphenyl)imidazol-1-yl]methyl]cyclobutan-1-amine
PubChem CID103354345
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name1-[[5-(2-methylphenyl)imidazol-1-yl]methyl]cyclobutan-1-amine
SMILESCc1ccccc1-c1cncn1CC1(N)CCC1
InChIInChI=1S/C15H19N3/c1-12-5-2-3-6-13(12)14-9-17-11-18(14)10-15(16)7-4-8-15/h2-3,5-6,9,11H,4,7-8,10,16H2,1H3
InChIKeyNFQSIGSHYAFORX-UHFFFAOYSA-N
XLogP2.74
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2-methylphenyl)imidazol-1-yl]methyl]cyclobutan-1-amine?
The IUPAC name of 1-[[5-(2-methylphenyl)imidazol-1-yl]methyl]cyclobutan-1-amine (CID 103354345) is 1-[[5-(2-methylphenyl)imidazol-1-yl]methyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[[5-(2-methylphenyl)imidazol-1-yl]methyl]cyclobutan-1-amine?
The canonical SMILES for 1-[[5-(2-methylphenyl)imidazol-1-yl]methyl]cyclobutan-1-amine is Cc1ccccc1-c1cncn1CC1(N)CCC1.
What is the InChIKey of 1-[[5-(2-methylphenyl)imidazol-1-yl]methyl]cyclobutan-1-amine?
The InChIKey is NFQSIGSHYAFORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-12-5-2-3-6-13(12)14-9-17-11-18(14)10-15(16)7-4-8-15/h2-3,5-6,9,11H,4,7-8,10,16H2,1H3.
What are the key properties of 1-[[5-(2-methylphenyl)imidazol-1-yl]methyl]cyclobutan-1-amine?
1-[[5-(2-methylphenyl)imidazol-1-yl]methyl]cyclobutan-1-amine has a molecular weight of 241.34 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(2-methylphenyl)imidazol-1-yl]methyl]cyclobutan-1-amine is sourced from PubChem (CID 103354345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).