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

C13H15N3 — CID 117304431

IUPAC1-[4-(1H-imidazol-2-yl)phenyl]cyclobutan-1-amine
SMILESNC1(c2ccc(-c3ncc[nH]3)cc2)CCC1
InChIInChI=1S/C13H15N3/c14-13(6-1-7-13)11-4-2-10(3-5-11)12-15-8-9-16-12/h2-5,8-9H,1,6-7,14H2,(H,15,16)
InChIKeyRGBQCSXNOUVPST-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.41
Rot. Bonds2

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

1-[4-(1H-imidazol-2-yl)phenyl]cyclobutan-1-amine (PubChem CID 117304431) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-[4-(1H-imidazol-2-yl)phenyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[4-(1H-imidazol-2-yl)phenyl]cyclobutan-1-amine
PubChem CID117304431
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name1-[4-(1H-imidazol-2-yl)phenyl]cyclobutan-1-amine
SMILESNC1(c2ccc(-c3ncc[nH]3)cc2)CCC1
InChIInChI=1S/C13H15N3/c14-13(6-1-7-13)11-4-2-10(3-5-11)12-15-8-9-16-12/h2-5,8-9H,1,6-7,14H2,(H,15,16)
InChIKeyRGBQCSXNOUVPST-UHFFFAOYSA-N
XLogP2.41
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-imidazol-2-yl)phenyl]cyclobutan-1-amine?
The IUPAC name of 1-[4-(1H-imidazol-2-yl)phenyl]cyclobutan-1-amine (CID 117304431) is 1-[4-(1H-imidazol-2-yl)phenyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[4-(1H-imidazol-2-yl)phenyl]cyclobutan-1-amine?
The canonical SMILES for 1-[4-(1H-imidazol-2-yl)phenyl]cyclobutan-1-amine is NC1(c2ccc(-c3ncc[nH]3)cc2)CCC1.
What is the InChIKey of 1-[4-(1H-imidazol-2-yl)phenyl]cyclobutan-1-amine?
The InChIKey is RGBQCSXNOUVPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c14-13(6-1-7-13)11-4-2-10(3-5-11)12-15-8-9-16-12/h2-5,8-9H,1,6-7,14H2,(H,15,16).
What are the key properties of 1-[4-(1H-imidazol-2-yl)phenyl]cyclobutan-1-amine?
1-[4-(1H-imidazol-2-yl)phenyl]cyclobutan-1-amine has a molecular weight of 213.28 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-imidazol-2-yl)phenyl]cyclobutan-1-amine is sourced from PubChem (CID 117304431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).