2-[4-[2-[(5S)-6-chloro-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]-4-fluorocyclohexyl]acetamide

C20H23ClFN3O — CID 118931060

IUPAC2-[4-[2-[(5S)-6-chloro-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]-4-fluorocyclohexyl]acetamide
SMILESNC(=O)CC1CCC(F)(CC[C@H]2c3c(Cl)cccc3-c3cncn32)CC1
InChIInChI=1S/C20H23ClFN3O/c21-15-3-1-2-14-17-11-24-12-25(17)16(19(14)15)6-9-20(22)7-4-13(5-8-20)10-18(23)26/h1-3,11-13,16H,4-10H2,(H2,23,26)/t13?,16-,20?/m0/s1
InChIKeyNEEUOIJXZZLHOO-FOCKTWCOSA-N
MW375.88 g/mol
LogP4.66
Rot. Bonds5

About 2-[4-[2-[(5S)-6-chloro-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]-4-fluorocyclohexyl]acetamide

2-[4-[2-[(5S)-6-chloro-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]-4-fluorocyclohexyl]acetamide (PubChem CID 118931060) has the molecular formula C20H23ClFN3O and a molecular weight of 375.88 g/mol. Its IUPAC name is 2-[4-[2-[(5S)-6-chloro-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]-4-fluorocyclohexyl]acetamide.

Molecular Properties

Compound Name2-[4-[2-[(5S)-6-chloro-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]-4-fluorocyclohexyl]acetamide
PubChem CID118931060
Molecular FormulaC20H23ClFN3O
Molecular Weight375.88 g/mol
Exact Mass375.15
IUPAC Name2-[4-[2-[(5S)-6-chloro-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]-4-fluorocyclohexyl]acetamide
SMILESNC(=O)CC1CCC(F)(CC[C@H]2c3c(Cl)cccc3-c3cncn32)CC1
InChIInChI=1S/C20H23ClFN3O/c21-15-3-1-2-14-17-11-24-12-25(17)16(19(14)15)6-9-20(22)7-4-13(5-8-20)10-18(23)26/h1-3,11-13,16H,4-10H2,(H2,23,26)/t13?,16-,20?/m0/s1
InChIKeyNEEUOIJXZZLHOO-FOCKTWCOSA-N
XLogP4.66
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(5S)-6-chloro-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]-4-fluorocyclohexyl]acetamide?
The IUPAC name of 2-[4-[2-[(5S)-6-chloro-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]-4-fluorocyclohexyl]acetamide (CID 118931060) is 2-[4-[2-[(5S)-6-chloro-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]-4-fluorocyclohexyl]acetamide.
What is the SMILES notation for 2-[4-[2-[(5S)-6-chloro-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]-4-fluorocyclohexyl]acetamide?
The canonical SMILES for 2-[4-[2-[(5S)-6-chloro-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]-4-fluorocyclohexyl]acetamide is NC(=O)CC1CCC(F)(CC[C@H]2c3c(Cl)cccc3-c3cncn32)CC1.
What is the InChIKey of 2-[4-[2-[(5S)-6-chloro-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]-4-fluorocyclohexyl]acetamide?
The InChIKey is NEEUOIJXZZLHOO-FOCKTWCOSA-N. The full InChI is InChI=1S/C20H23ClFN3O/c21-15-3-1-2-14-17-11-24-12-25(17)16(19(14)15)6-9-20(22)7-4-13(5-8-20)10-18(23)26/h1-3,11-13,16H,4-10H2,(H2,23,26)/t13?,16-,20?/m0/s1.
What are the key properties of 2-[4-[2-[(5S)-6-chloro-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]-4-fluorocyclohexyl]acetamide?
2-[4-[2-[(5S)-6-chloro-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]-4-fluorocyclohexyl]acetamide has a molecular weight of 375.88 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(5S)-6-chloro-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]-4-fluorocyclohexyl]acetamide is sourced from PubChem (CID 118931060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).