1-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]benzimidazol-2-amine

C21H24N4O2 — CID 140572015

IUPAC1-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]benzimidazol-2-amine
SMILESNc1nc2ccccc2n1C1CC(Oc2ncccc2C2CCOCC2)C1
InChIInChI=1S/C21H24N4O2/c22-21-24-18-5-1-2-6-19(18)25(21)15-12-16(13-15)27-20-17(4-3-9-23-20)14-7-10-26-11-8-14/h1-6,9,14-16H,7-8,10-13H2,(H2,22,24)
InChIKeyDDJOZAXDPPCNCG-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.69
Rot. Bonds4

About 1-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]benzimidazol-2-amine

1-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]benzimidazol-2-amine (PubChem CID 140572015) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]benzimidazol-2-amine.

Molecular Properties

Compound Name1-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]benzimidazol-2-amine
PubChem CID140572015
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name1-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]benzimidazol-2-amine
SMILESNc1nc2ccccc2n1C1CC(Oc2ncccc2C2CCOCC2)C1
InChIInChI=1S/C21H24N4O2/c22-21-24-18-5-1-2-6-19(18)25(21)15-12-16(13-15)27-20-17(4-3-9-23-20)14-7-10-26-11-8-14/h1-6,9,14-16H,7-8,10-13H2,(H2,22,24)
InChIKeyDDJOZAXDPPCNCG-UHFFFAOYSA-N
XLogP3.69
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]benzimidazol-2-amine?
The IUPAC name of 1-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]benzimidazol-2-amine (CID 140572015) is 1-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]benzimidazol-2-amine.
What is the SMILES notation for 1-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]benzimidazol-2-amine?
The canonical SMILES for 1-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]benzimidazol-2-amine is Nc1nc2ccccc2n1C1CC(Oc2ncccc2C2CCOCC2)C1.
What is the InChIKey of 1-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]benzimidazol-2-amine?
The InChIKey is DDJOZAXDPPCNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c22-21-24-18-5-1-2-6-19(18)25(21)15-12-16(13-15)27-20-17(4-3-9-23-20)14-7-10-26-11-8-14/h1-6,9,14-16H,7-8,10-13H2,(H2,22,24).
What are the key properties of 1-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]benzimidazol-2-amine?
1-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]benzimidazol-2-amine has a molecular weight of 364.45 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]benzimidazol-2-amine is sourced from PubChem (CID 140572015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).