5-fluoro-2-methyl-3-(2-methylimidazolidin-2-yl)-1H-indole

C13H16FN3 — CID 56975227

IUPAC5-fluoro-2-methyl-3-(2-methylimidazolidin-2-yl)-1H-indole
SMILESCc1[nH]c2ccc(F)cc2c1C1(C)NCCN1
InChIInChI=1S/C13H16FN3/c1-8-12(13(2)15-5-6-16-13)10-7-9(14)3-4-11(10)17-8/h3-4,7,15-17H,5-6H2,1-2H3
InChIKeyCTYZTTDPVWVUMU-UHFFFAOYSA-N
MW233.29 g/mol
LogP1.98
Rot. Bonds1

About 5-fluoro-2-methyl-3-(2-methylimidazolidin-2-yl)-1H-indole

5-fluoro-2-methyl-3-(2-methylimidazolidin-2-yl)-1H-indole (PubChem CID 56975227) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is 5-fluoro-2-methyl-3-(2-methylimidazolidin-2-yl)-1H-indole.

Molecular Properties

Compound Name5-fluoro-2-methyl-3-(2-methylimidazolidin-2-yl)-1H-indole
PubChem CID56975227
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name5-fluoro-2-methyl-3-(2-methylimidazolidin-2-yl)-1H-indole
SMILESCc1[nH]c2ccc(F)cc2c1C1(C)NCCN1
InChIInChI=1S/C13H16FN3/c1-8-12(13(2)15-5-6-16-13)10-7-9(14)3-4-11(10)17-8/h3-4,7,15-17H,5-6H2,1-2H3
InChIKeyCTYZTTDPVWVUMU-UHFFFAOYSA-N
XLogP1.98
TPSA39.85 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-3-(2-methylimidazolidin-2-yl)-1H-indole?
The IUPAC name of 5-fluoro-2-methyl-3-(2-methylimidazolidin-2-yl)-1H-indole (CID 56975227) is 5-fluoro-2-methyl-3-(2-methylimidazolidin-2-yl)-1H-indole.
What is the SMILES notation for 5-fluoro-2-methyl-3-(2-methylimidazolidin-2-yl)-1H-indole?
The canonical SMILES for 5-fluoro-2-methyl-3-(2-methylimidazolidin-2-yl)-1H-indole is Cc1[nH]c2ccc(F)cc2c1C1(C)NCCN1.
What is the InChIKey of 5-fluoro-2-methyl-3-(2-methylimidazolidin-2-yl)-1H-indole?
The InChIKey is CTYZTTDPVWVUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-8-12(13(2)15-5-6-16-13)10-7-9(14)3-4-11(10)17-8/h3-4,7,15-17H,5-6H2,1-2H3.
What are the key properties of 5-fluoro-2-methyl-3-(2-methylimidazolidin-2-yl)-1H-indole?
5-fluoro-2-methyl-3-(2-methylimidazolidin-2-yl)-1H-indole has a molecular weight of 233.29 g/mol, XLogP of 1.98, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-3-(2-methylimidazolidin-2-yl)-1H-indole is sourced from PubChem (CID 56975227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).