2-(1H-indol-3-yl)-5-methyl-1H-phenanthro[9,10-d]imidazole

C24H17N3 — CID 88972587

IUPAC2-(1H-indol-3-yl)-5-methyl-1H-phenanthro[9,10-d]imidazole
SMILESCc1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5ccccc45)nc3c2c1
InChIInChI=1S/C24H17N3/c1-14-10-11-16-15-6-2-3-8-18(15)22-23(19(16)12-14)27-24(26-22)20-13-25-21-9-5-4-7-17(20)21/h2-13,25H,1H3,(H,26,27)
InChIKeyIYCRZDMQMSGNMW-UHFFFAOYSA-N
MW347.42 g/mol
LogP6.33
Rot. Bonds1

About 2-(1H-indol-3-yl)-5-methyl-1H-phenanthro[9,10-d]imidazole

2-(1H-indol-3-yl)-5-methyl-1H-phenanthro[9,10-d]imidazole (PubChem CID 88972587) has the molecular formula C24H17N3 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-5-methyl-1H-phenanthro[9,10-d]imidazole.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-5-methyl-1H-phenanthro[9,10-d]imidazole
PubChem CID88972587
Molecular FormulaC24H17N3
Molecular Weight347.42 g/mol
Exact Mass347.14
IUPAC Name2-(1H-indol-3-yl)-5-methyl-1H-phenanthro[9,10-d]imidazole
SMILESCc1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5ccccc45)nc3c2c1
InChIInChI=1S/C24H17N3/c1-14-10-11-16-15-6-2-3-8-18(15)22-23(19(16)12-14)27-24(26-22)20-13-25-21-9-5-4-7-17(20)21/h2-13,25H,1H3,(H,26,27)
InChIKeyIYCRZDMQMSGNMW-UHFFFAOYSA-N
XLogP6.33
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.42
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-5-methyl-1H-phenanthro[9,10-d]imidazole?
The IUPAC name of 2-(1H-indol-3-yl)-5-methyl-1H-phenanthro[9,10-d]imidazole (CID 88972587) is 2-(1H-indol-3-yl)-5-methyl-1H-phenanthro[9,10-d]imidazole.
What is the SMILES notation for 2-(1H-indol-3-yl)-5-methyl-1H-phenanthro[9,10-d]imidazole?
The canonical SMILES for 2-(1H-indol-3-yl)-5-methyl-1H-phenanthro[9,10-d]imidazole is Cc1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5ccccc45)nc3c2c1.
What is the InChIKey of 2-(1H-indol-3-yl)-5-methyl-1H-phenanthro[9,10-d]imidazole?
The InChIKey is IYCRZDMQMSGNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3/c1-14-10-11-16-15-6-2-3-8-18(15)22-23(19(16)12-14)27-24(26-22)20-13-25-21-9-5-4-7-17(20)21/h2-13,25H,1H3,(H,26,27).
What are the key properties of 2-(1H-indol-3-yl)-5-methyl-1H-phenanthro[9,10-d]imidazole?
2-(1H-indol-3-yl)-5-methyl-1H-phenanthro[9,10-d]imidazole has a molecular weight of 347.42 g/mol, XLogP of 6.33, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-5-methyl-1H-phenanthro[9,10-d]imidazole is sourced from PubChem (CID 88972587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).