1-(1H-imidazol-5-ylmethyl)-6-(4-methylphenyl)-2,3-dihydroindole

C19H19N3 — CID 59435409

IUPAC1-(1H-imidazol-5-ylmethyl)-6-(4-methylphenyl)-2,3-dihydroindole
SMILESCc1ccc(-c2ccc3c(c2)N(Cc2cnc[nH]2)CC3)cc1
InChIInChI=1S/C19H19N3/c1-14-2-4-15(5-3-14)17-7-6-16-8-9-22(19(16)10-17)12-18-11-20-13-21-18/h2-7,10-11,13H,8-9,12H2,1H3,(H,20,21)
InChIKeyAZFDKHAHUMRZHL-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.95
Rot. Bonds3

About 1-(1H-imidazol-5-ylmethyl)-6-(4-methylphenyl)-2,3-dihydroindole

1-(1H-imidazol-5-ylmethyl)-6-(4-methylphenyl)-2,3-dihydroindole (PubChem CID 59435409) has the molecular formula C19H19N3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(1H-imidazol-5-ylmethyl)-6-(4-methylphenyl)-2,3-dihydroindole.

Molecular Properties

Compound Name1-(1H-imidazol-5-ylmethyl)-6-(4-methylphenyl)-2,3-dihydroindole
PubChem CID59435409
Molecular FormulaC19H19N3
Molecular Weight289.38 g/mol
Exact Mass289.16
IUPAC Name1-(1H-imidazol-5-ylmethyl)-6-(4-methylphenyl)-2,3-dihydroindole
SMILESCc1ccc(-c2ccc3c(c2)N(Cc2cnc[nH]2)CC3)cc1
InChIInChI=1S/C19H19N3/c1-14-2-4-15(5-3-14)17-7-6-16-8-9-22(19(16)10-17)12-18-11-20-13-21-18/h2-7,10-11,13H,8-9,12H2,1H3,(H,20,21)
InChIKeyAZFDKHAHUMRZHL-UHFFFAOYSA-N
XLogP3.95
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-ylmethyl)-6-(4-methylphenyl)-2,3-dihydroindole?
The IUPAC name of 1-(1H-imidazol-5-ylmethyl)-6-(4-methylphenyl)-2,3-dihydroindole (CID 59435409) is 1-(1H-imidazol-5-ylmethyl)-6-(4-methylphenyl)-2,3-dihydroindole.
What is the SMILES notation for 1-(1H-imidazol-5-ylmethyl)-6-(4-methylphenyl)-2,3-dihydroindole?
The canonical SMILES for 1-(1H-imidazol-5-ylmethyl)-6-(4-methylphenyl)-2,3-dihydroindole is Cc1ccc(-c2ccc3c(c2)N(Cc2cnc[nH]2)CC3)cc1.
What is the InChIKey of 1-(1H-imidazol-5-ylmethyl)-6-(4-methylphenyl)-2,3-dihydroindole?
The InChIKey is AZFDKHAHUMRZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3/c1-14-2-4-15(5-3-14)17-7-6-16-8-9-22(19(16)10-17)12-18-11-20-13-21-18/h2-7,10-11,13H,8-9,12H2,1H3,(H,20,21).
What are the key properties of 1-(1H-imidazol-5-ylmethyl)-6-(4-methylphenyl)-2,3-dihydroindole?
1-(1H-imidazol-5-ylmethyl)-6-(4-methylphenyl)-2,3-dihydroindole has a molecular weight of 289.38 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-ylmethyl)-6-(4-methylphenyl)-2,3-dihydroindole is sourced from PubChem (CID 59435409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).