3-[1-[4-(1-aminocyclobutyl)phenyl]imidazol-2-yl]pyridin-2-amine

C18H19N5 — CID 141442690

IUPAC3-[1-[4-(1-aminocyclobutyl)phenyl]imidazol-2-yl]pyridin-2-amine
SMILESNc1ncccc1-c1nccn1-c1ccc(C2(N)CCC2)cc1
InChIInChI=1S/C18H19N5/c19-16-15(3-1-10-21-16)17-22-11-12-23(17)14-6-4-13(5-7-14)18(20)8-2-9-18/h1,3-7,10-12H,2,8-9,20H2,(H2,19,21)
InChIKeyJKJWBOZCHDWBKS-UHFFFAOYSA-N
MW305.39 g/mol
LogP2.85
Rot. Bonds3

About 3-[1-[4-(1-aminocyclobutyl)phenyl]imidazol-2-yl]pyridin-2-amine

3-[1-[4-(1-aminocyclobutyl)phenyl]imidazol-2-yl]pyridin-2-amine (PubChem CID 141442690) has the molecular formula C18H19N5 and a molecular weight of 305.39 g/mol. Its IUPAC name is 3-[1-[4-(1-aminocyclobutyl)phenyl]imidazol-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[1-[4-(1-aminocyclobutyl)phenyl]imidazol-2-yl]pyridin-2-amine
PubChem CID141442690
Molecular FormulaC18H19N5
Molecular Weight305.39 g/mol
Exact Mass305.16
IUPAC Name3-[1-[4-(1-aminocyclobutyl)phenyl]imidazol-2-yl]pyridin-2-amine
SMILESNc1ncccc1-c1nccn1-c1ccc(C2(N)CCC2)cc1
InChIInChI=1S/C18H19N5/c19-16-15(3-1-10-21-16)17-22-11-12-23(17)14-6-4-13(5-7-14)18(20)8-2-9-18/h1,3-7,10-12H,2,8-9,20H2,(H2,19,21)
InChIKeyJKJWBOZCHDWBKS-UHFFFAOYSA-N
XLogP2.85
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-(1-aminocyclobutyl)phenyl]imidazol-2-yl]pyridin-2-amine?
The IUPAC name of 3-[1-[4-(1-aminocyclobutyl)phenyl]imidazol-2-yl]pyridin-2-amine (CID 141442690) is 3-[1-[4-(1-aminocyclobutyl)phenyl]imidazol-2-yl]pyridin-2-amine.
What is the SMILES notation for 3-[1-[4-(1-aminocyclobutyl)phenyl]imidazol-2-yl]pyridin-2-amine?
The canonical SMILES for 3-[1-[4-(1-aminocyclobutyl)phenyl]imidazol-2-yl]pyridin-2-amine is Nc1ncccc1-c1nccn1-c1ccc(C2(N)CCC2)cc1.
What is the InChIKey of 3-[1-[4-(1-aminocyclobutyl)phenyl]imidazol-2-yl]pyridin-2-amine?
The InChIKey is JKJWBOZCHDWBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5/c19-16-15(3-1-10-21-16)17-22-11-12-23(17)14-6-4-13(5-7-14)18(20)8-2-9-18/h1,3-7,10-12H,2,8-9,20H2,(H2,19,21).
What are the key properties of 3-[1-[4-(1-aminocyclobutyl)phenyl]imidazol-2-yl]pyridin-2-amine?
3-[1-[4-(1-aminocyclobutyl)phenyl]imidazol-2-yl]pyridin-2-amine has a molecular weight of 305.39 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-(1-aminocyclobutyl)phenyl]imidazol-2-yl]pyridin-2-amine is sourced from PubChem (CID 141442690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).