3-(4-fluorophenyl)-N-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)benzamide

C24H18FN3O — CID 145351905

IUPAC3-(4-fluorophenyl)-N-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)benzamide
SMILESO=C(NCC1c2ccccc2-c2cncn21)c1cccc(-c2ccc(F)cc2)c1
InChIInChI=1S/C24H18FN3O/c25-19-10-8-16(9-11-19)17-4-3-5-18(12-17)24(29)27-14-23-21-7-2-1-6-20(21)22-13-26-15-28(22)23/h1-13,15,23H,14H2,(H,27,29)
InChIKeyKYHHBGYHNNCUGG-UHFFFAOYSA-N
MW383.43 g/mol
LogP4.69
Rot. Bonds4

About 3-(4-fluorophenyl)-N-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)benzamide

3-(4-fluorophenyl)-N-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)benzamide (PubChem CID 145351905) has the molecular formula C24H18FN3O and a molecular weight of 383.43 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)benzamide
PubChem CID145351905
Molecular FormulaC24H18FN3O
Molecular Weight383.43 g/mol
Exact Mass383.14
IUPAC Name3-(4-fluorophenyl)-N-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)benzamide
SMILESO=C(NCC1c2ccccc2-c2cncn21)c1cccc(-c2ccc(F)cc2)c1
InChIInChI=1S/C24H18FN3O/c25-19-10-8-16(9-11-19)17-4-3-5-18(12-17)24(29)27-14-23-21-7-2-1-6-20(21)22-13-26-15-28(22)23/h1-13,15,23H,14H2,(H,27,29)
InChIKeyKYHHBGYHNNCUGG-UHFFFAOYSA-N
XLogP4.69
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)-3-(3-phenylphenyl)urea
CID 122504291
N-[(4-fluorophenyl)methyl]-4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)acetyl]bicyclo[2.2.2]octane-1-carboxamide
CID 145402270
1-[4-cyano-3-(trifluoromethyl)phenyl]-3-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)urea
CID 122504461
1-(3-chloro-4-pyridin-4-ylphenyl)-3-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)urea
CID 122504308
1-N-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)-1-N'-(4-methylphenyl)ethene-1,1-diamine
CID 145140028
1-(4-cyanophenyl)-3-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)urea
CID 122504382
2-[[3-(4-fluorophenyl)benzoyl]amino]acetic acid
CID 169198623
3-(4-fluorophenyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;hydrochloride
CID 154911098
1-(6-fluoro-2-phenyl-1-benzofuran-5-yl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone
CID 154006073
4-(5H-imidazo[5,1-a]isoindol-5-ylmethylamino)-N-phenylcyclohexane-1-carboxamide
CID 172804515
2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-quinolin-6-ylethanone
CID 154006094
1-(1-adamantyl)-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethanone
CID 138962007

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)benzamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)benzamide (CID 145351905) is 3-(4-fluorophenyl)-N-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)benzamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)benzamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)benzamide is O=C(NCC1c2ccccc2-c2cncn21)c1cccc(-c2ccc(F)cc2)c1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)benzamide?
The InChIKey is KYHHBGYHNNCUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN3O/c25-19-10-8-16(9-11-19)17-4-3-5-18(12-17)24(29)27-14-23-21-7-2-1-6-20(21)22-13-26-15-28(22)23/h1-13,15,23H,14H2,(H,27,29).
What are the key properties of 3-(4-fluorophenyl)-N-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)benzamide?
3-(4-fluorophenyl)-N-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)benzamide has a molecular weight of 383.43 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)benzamide is sourced from PubChem (CID 145351905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).