4-[(6-cyclopentyldibenzofuran-4-yl)-methylamino]benzonitrile

C25H22N2O — CID 138456777

IUPAC4-[(6-cyclopentyldibenzofuran-4-yl)-methylamino]benzonitrile
SMILESCN(c1ccc(C#N)cc1)c1cccc2c1oc1c(C3CCCC3)cccc12
InChIInChI=1S/C25H22N2O/c1-27(19-14-12-17(16-26)13-15-19)23-11-5-10-22-21-9-4-8-20(18-6-2-3-7-18)24(21)28-25(22)23/h4-5,8-15,18H,2-3,6-7H2,1H3
InChIKeyUIXXNIOEARZTKF-UHFFFAOYSA-N
MW366.46 g/mol
LogP6.88
Rot. Bonds3

About 4-[(6-cyclopentyldibenzofuran-4-yl)-methylamino]benzonitrile

4-[(6-cyclopentyldibenzofuran-4-yl)-methylamino]benzonitrile (PubChem CID 138456777) has the molecular formula C25H22N2O and a molecular weight of 366.46 g/mol. Its IUPAC name is 4-[(6-cyclopentyldibenzofuran-4-yl)-methylamino]benzonitrile.

Molecular Properties

Compound Name4-[(6-cyclopentyldibenzofuran-4-yl)-methylamino]benzonitrile
PubChem CID138456777
Molecular FormulaC25H22N2O
Molecular Weight366.46 g/mol
Exact Mass366.17
IUPAC Name4-[(6-cyclopentyldibenzofuran-4-yl)-methylamino]benzonitrile
SMILESCN(c1ccc(C#N)cc1)c1cccc2c1oc1c(C3CCCC3)cccc12
InChIInChI=1S/C25H22N2O/c1-27(19-14-12-17(16-26)13-15-19)23-11-5-10-22-21-9-4-8-20(18-6-2-3-7-18)24(21)28-25(22)23/h4-5,8-15,18H,2-3,6-7H2,1H3
InChIKeyUIXXNIOEARZTKF-UHFFFAOYSA-N
XLogP6.88
TPSA40.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Benzofuran-7-yl-4-biphenyl-3-ylmethyl-piperazine
CID 44315568
N,N-diethyldibenzofuran-4-amine
CID 459352
N-p-tolyldibenzo[b,d]furan-4-amine
CID 90142425
N,N'-bis-dibenzofuran-4-yl-N,N'-bis-(2,5-dimethyl-phenyl)-pyrene-1,6-diamine
CID 121274496
1-Dibenzofuran-4-ylpyrrolidin-2-one
CID 134848564
4-[1-Benzofuran-2-ylmethyl(2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)benzonitrile
CID 12001692
N-[(3-fluoro-2-methylphenyl)methyl]dibenzofuran-4-amine
CID 22664284
N,8-dimethyl-N-[4-(trifluoromethyl)phenyl]dibenzofuran-2-amine
CID 23593255
3-[(3-Fluorophenyl)methyl]-5-methyl-7-piperazin-1-yl-1-benzofuran-2-carbonitrile
CID 24953777
6-fluoro-N-[4-[4-(N-(6-fluorodibenzofuran-4-yl)anilino)phenyl]phenyl]-N-phenyldibenzofuran-4-amine
CID 71126827
N-[4-[4-(N-dibenzofuran-4-yl-4-fluoroanilino)phenyl]phenyl]-N-(4-fluorophenyl)dibenzofuran-4-amine
CID 71126844
10-N,14-N-bis(4-fluorophenyl)-10-N,14-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine
CID 90263428

Frequently Asked Questions

What is the IUPAC name of 4-[(6-cyclopentyldibenzofuran-4-yl)-methylamino]benzonitrile?
The IUPAC name of 4-[(6-cyclopentyldibenzofuran-4-yl)-methylamino]benzonitrile (CID 138456777) is 4-[(6-cyclopentyldibenzofuran-4-yl)-methylamino]benzonitrile.
What is the SMILES notation for 4-[(6-cyclopentyldibenzofuran-4-yl)-methylamino]benzonitrile?
The canonical SMILES for 4-[(6-cyclopentyldibenzofuran-4-yl)-methylamino]benzonitrile is CN(c1ccc(C#N)cc1)c1cccc2c1oc1c(C3CCCC3)cccc12.
What is the InChIKey of 4-[(6-cyclopentyldibenzofuran-4-yl)-methylamino]benzonitrile?
The InChIKey is UIXXNIOEARZTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O/c1-27(19-14-12-17(16-26)13-15-19)23-11-5-10-22-21-9-4-8-20(18-6-2-3-7-18)24(21)28-25(22)23/h4-5,8-15,18H,2-3,6-7H2,1H3.
What are the key properties of 4-[(6-cyclopentyldibenzofuran-4-yl)-methylamino]benzonitrile?
4-[(6-cyclopentyldibenzofuran-4-yl)-methylamino]benzonitrile has a molecular weight of 366.46 g/mol, XLogP of 6.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-cyclopentyldibenzofuran-4-yl)-methylamino]benzonitrile is sourced from PubChem (CID 138456777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).