1-[(2-chloro-6-fluorophenyl)methyl]-5-fluorospiro[2H-indole-3,4'-imidazolidine]

C17H16ClF2N3 — CID 69264321

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]-5-fluorospiro[2H-indole-3,4'-imidazolidine]
SMILESFc1ccc2c(c1)C1(CNCN1)CN2Cc1c(F)cccc1Cl
InChIInChI=1S/C17H16ClF2N3/c18-14-2-1-3-15(20)12(14)7-23-9-17(8-21-10-22-17)13-6-11(19)4-5-16(13)23/h1-6,21-22H,7-10H2
InChIKeyOQXYTCLREZGVMP-UHFFFAOYSA-N
MW335.79 g/mol
LogP2.98
Rot. Bonds2

About 1-[(2-chloro-6-fluorophenyl)methyl]-5-fluorospiro[2H-indole-3,4'-imidazolidine]

1-[(2-chloro-6-fluorophenyl)methyl]-5-fluorospiro[2H-indole-3,4'-imidazolidine] (PubChem CID 69264321) has the molecular formula C17H16ClF2N3 and a molecular weight of 335.79 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]-5-fluorospiro[2H-indole-3,4'-imidazolidine].

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]-5-fluorospiro[2H-indole-3,4'-imidazolidine]
PubChem CID69264321
Molecular FormulaC17H16ClF2N3
Molecular Weight335.79 g/mol
Exact Mass335.10
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]-5-fluorospiro[2H-indole-3,4'-imidazolidine]
SMILESFc1ccc2c(c1)C1(CNCN1)CN2Cc1c(F)cccc1Cl
InChIInChI=1S/C17H16ClF2N3/c18-14-2-1-3-15(20)12(14)7-23-9-17(8-21-10-22-17)13-6-11(19)4-5-16(13)23/h1-6,21-22H,7-10H2
InChIKeyOQXYTCLREZGVMP-UHFFFAOYSA-N
XLogP2.98
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-chloro-6-fluorophenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one
CID 82098639
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CID 95049087
1-[(2-chloro-6-fluorophenyl)methyl]-6-methyl-3,4-dihydro-2H-quinoline
CID 22194542
1-[(2-chloro-6-fluorophenyl)methyl]-2-cyclopropyl-2,5,5-trimethylpiperazine
CID 64843838
3-chloro-2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]phenol
CID 103504803
1-[(2-chloro-6-fluorophenyl)methyl]-2,2-diethylpiperazine
CID 64845606
3-[(2-chloro-6-fluorophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 4280918
4-[(2-chloro-6-fluorophenyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-amine
CID 61495698
1-[(2-chloro-6-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperazine
CID 8747347
1-[(2-chloro-6-fluorophenyl)methyl]-2,2,5-trimethylpiperazine
CID 64843935
CID 167462330
CID 167462330
1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-ol
CID 24905047

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-5-fluorospiro[2H-indole-3,4'-imidazolidine]?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-5-fluorospiro[2H-indole-3,4'-imidazolidine] (CID 69264321) is 1-[(2-chloro-6-fluorophenyl)methyl]-5-fluorospiro[2H-indole-3,4'-imidazolidine].
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]-5-fluorospiro[2H-indole-3,4'-imidazolidine]?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]-5-fluorospiro[2H-indole-3,4'-imidazolidine] is Fc1ccc2c(c1)C1(CNCN1)CN2Cc1c(F)cccc1Cl.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]-5-fluorospiro[2H-indole-3,4'-imidazolidine]?
The InChIKey is OQXYTCLREZGVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF2N3/c18-14-2-1-3-15(20)12(14)7-23-9-17(8-21-10-22-17)13-6-11(19)4-5-16(13)23/h1-6,21-22H,7-10H2.
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]-5-fluorospiro[2H-indole-3,4'-imidazolidine]?
1-[(2-chloro-6-fluorophenyl)methyl]-5-fluorospiro[2H-indole-3,4'-imidazolidine] has a molecular weight of 335.79 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl]-5-fluorospiro[2H-indole-3,4'-imidazolidine] is sourced from PubChem (CID 69264321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).