1-[4-(1-methylimidazol-2-yl)phenyl]cyclobutan-1-amine

C14H17N3 — CID 117327419

IUPAC1-[4-(1-methylimidazol-2-yl)phenyl]cyclobutan-1-amine
SMILESCn1ccnc1-c1ccc(C2(N)CCC2)cc1
InChIInChI=1S/C14H17N3/c1-17-10-9-16-13(17)11-3-5-12(6-4-11)14(15)7-2-8-14/h3-6,9-10H,2,7-8,15H2,1H3
InChIKeyDRCMSQZEFYXARQ-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.42
Rot. Bonds2

About 1-[4-(1-methylimidazol-2-yl)phenyl]cyclobutan-1-amine

1-[4-(1-methylimidazol-2-yl)phenyl]cyclobutan-1-amine (PubChem CID 117327419) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-[4-(1-methylimidazol-2-yl)phenyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[4-(1-methylimidazol-2-yl)phenyl]cyclobutan-1-amine
PubChem CID117327419
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name1-[4-(1-methylimidazol-2-yl)phenyl]cyclobutan-1-amine
SMILESCn1ccnc1-c1ccc(C2(N)CCC2)cc1
InChIInChI=1S/C14H17N3/c1-17-10-9-16-13(17)11-3-5-12(6-4-11)14(15)7-2-8-14/h3-6,9-10H,2,7-8,15H2,1H3
InChIKeyDRCMSQZEFYXARQ-UHFFFAOYSA-N
XLogP2.42
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methylimidazol-2-yl)phenyl]cyclobutan-1-amine?
The IUPAC name of 1-[4-(1-methylimidazol-2-yl)phenyl]cyclobutan-1-amine (CID 117327419) is 1-[4-(1-methylimidazol-2-yl)phenyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[4-(1-methylimidazol-2-yl)phenyl]cyclobutan-1-amine?
The canonical SMILES for 1-[4-(1-methylimidazol-2-yl)phenyl]cyclobutan-1-amine is Cn1ccnc1-c1ccc(C2(N)CCC2)cc1.
What is the InChIKey of 1-[4-(1-methylimidazol-2-yl)phenyl]cyclobutan-1-amine?
The InChIKey is DRCMSQZEFYXARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-17-10-9-16-13(17)11-3-5-12(6-4-11)14(15)7-2-8-14/h3-6,9-10H,2,7-8,15H2,1H3.
What are the key properties of 1-[4-(1-methylimidazol-2-yl)phenyl]cyclobutan-1-amine?
1-[4-(1-methylimidazol-2-yl)phenyl]cyclobutan-1-amine has a molecular weight of 227.31 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methylimidazol-2-yl)phenyl]cyclobutan-1-amine is sourced from PubChem (CID 117327419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).