2-(imidazol-1-ylmethyl)-6-methyl-1-phenylindole

C19H17N3 — CID 71568312

IUPAC2-(imidazol-1-ylmethyl)-6-methyl-1-phenylindole
SMILESCc1ccc2cc(Cn3ccnc3)n(-c3ccccc3)c2c1
InChIInChI=1S/C19H17N3/c1-15-7-8-16-12-18(13-21-10-9-20-14-21)22(19(16)11-15)17-5-3-2-4-6-17/h2-12,14H,13H2,1H3
InChIKeyYUUCPWQBURYNLY-UHFFFAOYSA-N
MW287.37 g/mol
LogP4.18
Rot. Bonds3

About 2-(imidazol-1-ylmethyl)-6-methyl-1-phenylindole

2-(imidazol-1-ylmethyl)-6-methyl-1-phenylindole (PubChem CID 71568312) has the molecular formula C19H17N3 and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-(imidazol-1-ylmethyl)-6-methyl-1-phenylindole.

Molecular Properties

Compound Name2-(imidazol-1-ylmethyl)-6-methyl-1-phenylindole
PubChem CID71568312
Molecular FormulaC19H17N3
Molecular Weight287.37 g/mol
Exact Mass287.14
IUPAC Name2-(imidazol-1-ylmethyl)-6-methyl-1-phenylindole
SMILESCc1ccc2cc(Cn3ccnc3)n(-c3ccccc3)c2c1
InChIInChI=1S/C19H17N3/c1-15-7-8-16-12-18(13-21-10-9-20-14-21)22(19(16)11-15)17-5-3-2-4-6-17/h2-12,14H,13H2,1H3
InChIKeyYUUCPWQBURYNLY-UHFFFAOYSA-N
XLogP4.18
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(imidazol-1-ylmethyl)-6-methyl-1-phenylindole?
The IUPAC name of 2-(imidazol-1-ylmethyl)-6-methyl-1-phenylindole (CID 71568312) is 2-(imidazol-1-ylmethyl)-6-methyl-1-phenylindole.
What is the SMILES notation for 2-(imidazol-1-ylmethyl)-6-methyl-1-phenylindole?
The canonical SMILES for 2-(imidazol-1-ylmethyl)-6-methyl-1-phenylindole is Cc1ccc2cc(Cn3ccnc3)n(-c3ccccc3)c2c1.
What is the InChIKey of 2-(imidazol-1-ylmethyl)-6-methyl-1-phenylindole?
The InChIKey is YUUCPWQBURYNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3/c1-15-7-8-16-12-18(13-21-10-9-20-14-21)22(19(16)11-15)17-5-3-2-4-6-17/h2-12,14H,13H2,1H3.
What are the key properties of 2-(imidazol-1-ylmethyl)-6-methyl-1-phenylindole?
2-(imidazol-1-ylmethyl)-6-methyl-1-phenylindole has a molecular weight of 287.37 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(imidazol-1-ylmethyl)-6-methyl-1-phenylindole is sourced from PubChem (CID 71568312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).