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

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

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Related Compounds

3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutane-1-carboxylic acid
CID 58548534
1-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]benzimidazol-2-amine
CID 53260727
(1-methylbenzimidazol-2-yl)-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]methanone
CID 59326816
1H-benzimidazol-2-yl-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone
CID 67477462
(1S,2R,4R)-4-(2-aminobenzimidazol-1-yl)cyclohexane-1,2-diol
CID 139447792
3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]-1-pyridin-2-ylcyclobutane-1-carbaldehyde
CID 88546078
[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl] N-tert-butylcarbamate
CID 123312806
isoquinolin-3-yl-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
CID 54670305
N-[3-[(3-cyclohexyl-2-pyridinyl)oxy]cyclobutyl]-1,3-benzothiazol-2-amine
CID 58548636
2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyridine
CID 58547869
cis-(1S,3R)-3-(2-aminobenzimidazol-1-yl)cyclohexan-1-ol
CID 139447970
1-(oxan-4-ylmethyl)benzimidazol-2-amine
CID 63712640

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).