2-methyl-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazol-4-yl]-1H-indole

C22H21N3 — CID 22745365

IUPAC2-methyl-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazol-4-yl]-1H-indole
SMILESCc1[nH]c2ccccc2c1-c1cncn1C1CCCc2ccccc21
InChIInChI=1S/C22H21N3/c1-15-22(18-10-4-5-11-19(18)24-15)21-13-23-14-25(21)20-12-6-8-16-7-2-3-9-17(16)20/h2-5,7,9-11,13-14,20,24H,6,8,12H2,1H3
InChIKeyYFYFXMSUXYFWKT-UHFFFAOYSA-N
MW327.43 g/mol
LogP5.27
Rot. Bonds2

About 2-methyl-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazol-4-yl]-1H-indole

2-methyl-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazol-4-yl]-1H-indole (PubChem CID 22745365) has the molecular formula C22H21N3 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-methyl-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazol-4-yl]-1H-indole.

Molecular Properties

Compound Name2-methyl-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazol-4-yl]-1H-indole
PubChem CID22745365
Molecular FormulaC22H21N3
Molecular Weight327.43 g/mol
Exact Mass327.17
IUPAC Name2-methyl-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazol-4-yl]-1H-indole
SMILESCc1[nH]c2ccccc2c1-c1cncn1C1CCCc2ccccc21
InChIInChI=1S/C22H21N3/c1-15-22(18-10-4-5-11-19(18)24-15)21-13-23-14-25(21)20-12-6-8-16-7-2-3-9-17(16)20/h2-5,7,9-11,13-14,20,24H,6,8,12H2,1H3
InChIKeyYFYFXMSUXYFWKT-UHFFFAOYSA-N
XLogP5.27
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.43
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazol-4-yl]-1H-indole?
The IUPAC name of 2-methyl-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazol-4-yl]-1H-indole (CID 22745365) is 2-methyl-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazol-4-yl]-1H-indole.
What is the SMILES notation for 2-methyl-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazol-4-yl]-1H-indole?
The canonical SMILES for 2-methyl-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazol-4-yl]-1H-indole is Cc1[nH]c2ccccc2c1-c1cncn1C1CCCc2ccccc21.
What is the InChIKey of 2-methyl-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazol-4-yl]-1H-indole?
The InChIKey is YFYFXMSUXYFWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3/c1-15-22(18-10-4-5-11-19(18)24-15)21-13-23-14-25(21)20-12-6-8-16-7-2-3-9-17(16)20/h2-5,7,9-11,13-14,20,24H,6,8,12H2,1H3.
What are the key properties of 2-methyl-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazol-4-yl]-1H-indole?
2-methyl-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazol-4-yl]-1H-indole has a molecular weight of 327.43 g/mol, XLogP of 5.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazol-4-yl]-1H-indole is sourced from PubChem (CID 22745365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).