3-[5-(cyclopentylmethyl)imidazo[1,2-b]isoindol-5-yl]benzonitrile

C23H21N3 — CID 58415603

IUPAC3-[5-(cyclopentylmethyl)imidazo[1,2-b]isoindol-5-yl]benzonitrile
SMILESN#Cc1cccc(C2(CC3CCCC3)c3ccccc3-c3nccn32)c1
InChIInChI=1S/C23H21N3/c24-16-18-8-5-9-19(14-18)23(15-17-6-1-2-7-17)21-11-4-3-10-20(21)22-25-12-13-26(22)23/h3-5,8-14,17H,1-2,6-7,15H2
InChIKeyDVILUPNSRQYBDS-UHFFFAOYSA-N
MW339.44 g/mol
LogP5.11
Rot. Bonds3

About 3-[5-(cyclopentylmethyl)imidazo[1,2-b]isoindol-5-yl]benzonitrile

3-[5-(cyclopentylmethyl)imidazo[1,2-b]isoindol-5-yl]benzonitrile (PubChem CID 58415603) has the molecular formula C23H21N3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-[5-(cyclopentylmethyl)imidazo[1,2-b]isoindol-5-yl]benzonitrile.

Molecular Properties

Compound Name3-[5-(cyclopentylmethyl)imidazo[1,2-b]isoindol-5-yl]benzonitrile
PubChem CID58415603
Molecular FormulaC23H21N3
Molecular Weight339.44 g/mol
Exact Mass339.17
IUPAC Name3-[5-(cyclopentylmethyl)imidazo[1,2-b]isoindol-5-yl]benzonitrile
SMILESN#Cc1cccc(C2(CC3CCCC3)c3ccccc3-c3nccn32)c1
InChIInChI=1S/C23H21N3/c24-16-18-8-5-9-19(14-18)23(15-17-6-1-2-7-17)21-11-4-3-10-20(21)22-25-12-13-26(22)23/h3-5,8-14,17H,1-2,6-7,15H2
InChIKeyDVILUPNSRQYBDS-UHFFFAOYSA-N
XLogP5.11
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.44
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(cyclopentylmethyl)imidazo[1,2-b]isoindol-5-yl]benzonitrile?
The IUPAC name of 3-[5-(cyclopentylmethyl)imidazo[1,2-b]isoindol-5-yl]benzonitrile (CID 58415603) is 3-[5-(cyclopentylmethyl)imidazo[1,2-b]isoindol-5-yl]benzonitrile.
What is the SMILES notation for 3-[5-(cyclopentylmethyl)imidazo[1,2-b]isoindol-5-yl]benzonitrile?
The canonical SMILES for 3-[5-(cyclopentylmethyl)imidazo[1,2-b]isoindol-5-yl]benzonitrile is N#Cc1cccc(C2(CC3CCCC3)c3ccccc3-c3nccn32)c1.
What is the InChIKey of 3-[5-(cyclopentylmethyl)imidazo[1,2-b]isoindol-5-yl]benzonitrile?
The InChIKey is DVILUPNSRQYBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3/c24-16-18-8-5-9-19(14-18)23(15-17-6-1-2-7-17)21-11-4-3-10-20(21)22-25-12-13-26(22)23/h3-5,8-14,17H,1-2,6-7,15H2.
What are the key properties of 3-[5-(cyclopentylmethyl)imidazo[1,2-b]isoindol-5-yl]benzonitrile?
3-[5-(cyclopentylmethyl)imidazo[1,2-b]isoindol-5-yl]benzonitrile has a molecular weight of 339.44 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(cyclopentylmethyl)imidazo[1,2-b]isoindol-5-yl]benzonitrile is sourced from PubChem (CID 58415603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).