3-(2-methylimidazolidin-2-yl)-2-phenyl-1H-indole

C18H19N3 — CID 57137184

IUPAC3-(2-methylimidazolidin-2-yl)-2-phenyl-1H-indole
SMILESCC1(c2c(-c3ccccc3)[nH]c3ccccc23)NCCN1
InChIInChI=1S/C18H19N3/c1-18(19-11-12-20-18)16-14-9-5-6-10-15(14)21-17(16)13-7-3-2-4-8-13/h2-10,19-21H,11-12H2,1H3
InChIKeyGYPTZGNDMGKSFO-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.20
Rot. Bonds2

About 3-(2-methylimidazolidin-2-yl)-2-phenyl-1H-indole

3-(2-methylimidazolidin-2-yl)-2-phenyl-1H-indole (PubChem CID 57137184) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-(2-methylimidazolidin-2-yl)-2-phenyl-1H-indole.

Molecular Properties

Compound Name3-(2-methylimidazolidin-2-yl)-2-phenyl-1H-indole
PubChem CID57137184
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name3-(2-methylimidazolidin-2-yl)-2-phenyl-1H-indole
SMILESCC1(c2c(-c3ccccc3)[nH]c3ccccc23)NCCN1
InChIInChI=1S/C18H19N3/c1-18(19-11-12-20-18)16-14-9-5-6-10-15(14)21-17(16)13-7-3-2-4-8-13/h2-10,19-21H,11-12H2,1H3
InChIKeyGYPTZGNDMGKSFO-UHFFFAOYSA-N
XLogP3.20
TPSA39.85 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylimidazolidin-2-yl)-2-phenyl-1H-indole?
The IUPAC name of 3-(2-methylimidazolidin-2-yl)-2-phenyl-1H-indole (CID 57137184) is 3-(2-methylimidazolidin-2-yl)-2-phenyl-1H-indole.
What is the SMILES notation for 3-(2-methylimidazolidin-2-yl)-2-phenyl-1H-indole?
The canonical SMILES for 3-(2-methylimidazolidin-2-yl)-2-phenyl-1H-indole is CC1(c2c(-c3ccccc3)[nH]c3ccccc23)NCCN1.
What is the InChIKey of 3-(2-methylimidazolidin-2-yl)-2-phenyl-1H-indole?
The InChIKey is GYPTZGNDMGKSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-18(19-11-12-20-18)16-14-9-5-6-10-15(14)21-17(16)13-7-3-2-4-8-13/h2-10,19-21H,11-12H2,1H3.
What are the key properties of 3-(2-methylimidazolidin-2-yl)-2-phenyl-1H-indole?
3-(2-methylimidazolidin-2-yl)-2-phenyl-1H-indole has a molecular weight of 277.37 g/mol, XLogP of 3.20, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylimidazolidin-2-yl)-2-phenyl-1H-indole is sourced from PubChem (CID 57137184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).