[2-[(4-fluoro-1,3-dihydroisoindol-2-yl)amino]-4,5-dihydroimidazol-1-yl]-phenylmethanone

C18H17FN4O — CID 21289102

IUPAC[2-[(4-fluoro-1,3-dihydroisoindol-2-yl)amino]-4,5-dihydroimidazol-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN=C1NN1Cc2cccc(F)c2C1
InChIInChI=1S/C18H17FN4O/c19-16-8-4-7-14-11-22(12-15(14)16)21-18-20-9-10-23(18)17(24)13-5-2-1-3-6-13/h1-8H,9-12H2,(H,20,21)
InChIKeyBGIIGBZCAVZMTQ-UHFFFAOYSA-N
MW324.36 g/mol
LogP2.16
Rot. Bonds2

About [2-[(4-fluoro-1,3-dihydroisoindol-2-yl)amino]-4,5-dihydroimidazol-1-yl]-phenylmethanone

[2-[(4-fluoro-1,3-dihydroisoindol-2-yl)amino]-4,5-dihydroimidazol-1-yl]-phenylmethanone (PubChem CID 21289102) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is [2-[(4-fluoro-1,3-dihydroisoindol-2-yl)amino]-4,5-dihydroimidazol-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-[(4-fluoro-1,3-dihydroisoindol-2-yl)amino]-4,5-dihydroimidazol-1-yl]-phenylmethanone
PubChem CID21289102
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC Name[2-[(4-fluoro-1,3-dihydroisoindol-2-yl)amino]-4,5-dihydroimidazol-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN=C1NN1Cc2cccc(F)c2C1
InChIInChI=1S/C18H17FN4O/c19-16-8-4-7-14-11-22(12-15(14)16)21-18-20-9-10-23(18)17(24)13-5-2-1-3-6-13/h1-8H,9-12H2,(H,20,21)
InChIKeyBGIIGBZCAVZMTQ-UHFFFAOYSA-N
XLogP2.16
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,3-dihydro-1H-inden-1-ylamino)-4,5-dihydroimidazol-1-yl]-phenylmethanone
CID 23460034
[2-(2,4-dichloroanilino)-4,5-dihydroimidazol-1-yl]-phenylmethanone
CID 23465952
[2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-4,5-dihydroimidazol-1-yl]-phenylmethanone
CID 170694561
(4-chlorophenyl)-[2-(2,3-dichloroanilino)-4,5-dihydroimidazol-1-yl]methanone
CID 13189163
(4-bromophenyl)-[2-[4-(2-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]methanone
CID 53037886
[2-(2,3-dihydro-1H-inden-4-ylamino)-4,5-dihydroimidazol-1-yl]-(4-propan-2-ylphenyl)methanone
CID 23460073
ethene;methyl 4-fluoro-1,3-dihydroisoindole-2-carboxylate
CID 143812546
1-(2,6-difluorophenyl)-2-[[4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]methyl]guanidine
CID 89336572
[2-[2-fluoro-6-(trifluoromethyl)anilino]-4,5-dihydroimidazol-1-yl]-quinolin-2-ylmethanone
CID 70531523
N-(2-aminophenyl)-4-fluoro-1,3-dihydroisoindole-2-carboxamide
CID 89157968
2-(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylacetamide
CID 110456763
N-(1,3-dihydroisoindol-2-yl)benzamide
CID 3118896

Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluoro-1,3-dihydroisoindol-2-yl)amino]-4,5-dihydroimidazol-1-yl]-phenylmethanone?
The IUPAC name of [2-[(4-fluoro-1,3-dihydroisoindol-2-yl)amino]-4,5-dihydroimidazol-1-yl]-phenylmethanone (CID 21289102) is [2-[(4-fluoro-1,3-dihydroisoindol-2-yl)amino]-4,5-dihydroimidazol-1-yl]-phenylmethanone.
What is the SMILES notation for [2-[(4-fluoro-1,3-dihydroisoindol-2-yl)amino]-4,5-dihydroimidazol-1-yl]-phenylmethanone?
The canonical SMILES for [2-[(4-fluoro-1,3-dihydroisoindol-2-yl)amino]-4,5-dihydroimidazol-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCN=C1NN1Cc2cccc(F)c2C1.
What is the InChIKey of [2-[(4-fluoro-1,3-dihydroisoindol-2-yl)amino]-4,5-dihydroimidazol-1-yl]-phenylmethanone?
The InChIKey is BGIIGBZCAVZMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c19-16-8-4-7-14-11-22(12-15(14)16)21-18-20-9-10-23(18)17(24)13-5-2-1-3-6-13/h1-8H,9-12H2,(H,20,21).
What are the key properties of [2-[(4-fluoro-1,3-dihydroisoindol-2-yl)amino]-4,5-dihydroimidazol-1-yl]-phenylmethanone?
[2-[(4-fluoro-1,3-dihydroisoindol-2-yl)amino]-4,5-dihydroimidazol-1-yl]-phenylmethanone has a molecular weight of 324.36 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluoro-1,3-dihydroisoindol-2-yl)amino]-4,5-dihydroimidazol-1-yl]-phenylmethanone is sourced from PubChem (CID 21289102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).