1-(1H-indol-4-yl)benzimidazole

C15H11N3 — CID 152744457

IUPAC1-(1H-indol-4-yl)benzimidazole
SMILESc1ccc2c(c1)ncn2-c1cccc2[nH]ccc12
InChIInChI=1S/C15H11N3/c1-2-6-15-13(4-1)17-10-18(15)14-7-3-5-12-11(14)8-9-16-12/h1-10,16H
InChIKeyYLTCCRRXUSEDOW-UHFFFAOYSA-N
MW233.27 g/mol
LogP3.51
Rot. Bonds1

About 1-(1H-indol-4-yl)benzimidazole

1-(1H-indol-4-yl)benzimidazole (PubChem CID 152744457) has the molecular formula C15H11N3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-(1H-indol-4-yl)benzimidazole.

Molecular Properties

Compound Name1-(1H-indol-4-yl)benzimidazole
PubChem CID152744457
Molecular FormulaC15H11N3
Molecular Weight233.27 g/mol
Exact Mass233.10
IUPAC Name1-(1H-indol-4-yl)benzimidazole
SMILESc1ccc2c(c1)ncn2-c1cccc2[nH]ccc12
InChIInChI=1S/C15H11N3/c1-2-6-15-13(4-1)17-10-18(15)14-7-3-5-12-11(14)8-9-16-12/h1-10,16H
InChIKeyYLTCCRRXUSEDOW-UHFFFAOYSA-N
XLogP3.51
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(1H-indol-4-yl)benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-4-yl)benzimidazole?
The IUPAC name of 1-(1H-indol-4-yl)benzimidazole (CID 152744457) is 1-(1H-indol-4-yl)benzimidazole.
What is the SMILES notation for 1-(1H-indol-4-yl)benzimidazole?
The canonical SMILES for 1-(1H-indol-4-yl)benzimidazole is c1ccc2c(c1)ncn2-c1cccc2[nH]ccc12.
What is the InChIKey of 1-(1H-indol-4-yl)benzimidazole?
The InChIKey is YLTCCRRXUSEDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3/c1-2-6-15-13(4-1)17-10-18(15)14-7-3-5-12-11(14)8-9-16-12/h1-10,16H.
What are the key properties of 1-(1H-indol-4-yl)benzimidazole?
1-(1H-indol-4-yl)benzimidazole has a molecular weight of 233.27 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-4-yl)benzimidazole is sourced from PubChem (CID 152744457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).