1-(1H-indol-5-yl)-5-methylbenzimidazole

C16H13N3 — CID 21474183

IUPAC1-(1H-indol-5-yl)-5-methylbenzimidazole
SMILESCc1ccc2c(c1)ncn2-c1ccc2[nH]ccc2c1
InChIInChI=1S/C16H13N3/c1-11-2-5-16-15(8-11)18-10-19(16)13-3-4-14-12(9-13)6-7-17-14/h2-10,17H,1H3
InChIKeyVZKRZUPJCVFVGR-UHFFFAOYSA-N
MW247.30 g/mol
LogP3.82
Rot. Bonds1

About 1-(1H-indol-5-yl)-5-methylbenzimidazole

1-(1H-indol-5-yl)-5-methylbenzimidazole (PubChem CID 21474183) has the molecular formula C16H13N3 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-(1H-indol-5-yl)-5-methylbenzimidazole.

Molecular Properties

Compound Name1-(1H-indol-5-yl)-5-methylbenzimidazole
PubChem CID21474183
Molecular FormulaC16H13N3
Molecular Weight247.30 g/mol
Exact Mass247.11
IUPAC Name1-(1H-indol-5-yl)-5-methylbenzimidazole
SMILESCc1ccc2c(c1)ncn2-c1ccc2[nH]ccc2c1
InChIInChI=1S/C16H13N3/c1-11-2-5-16-15(8-11)18-10-19(16)13-3-4-14-12(9-13)6-7-17-14/h2-10,17H,1H3
InChIKeyVZKRZUPJCVFVGR-UHFFFAOYSA-N
XLogP3.82
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(1H-indol-5-yl)-5-methylbenzimidazole 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-5-yl)-5-methylbenzimidazole?
The IUPAC name of 1-(1H-indol-5-yl)-5-methylbenzimidazole (CID 21474183) is 1-(1H-indol-5-yl)-5-methylbenzimidazole.
What is the SMILES notation for 1-(1H-indol-5-yl)-5-methylbenzimidazole?
The canonical SMILES for 1-(1H-indol-5-yl)-5-methylbenzimidazole is Cc1ccc2c(c1)ncn2-c1ccc2[nH]ccc2c1.
What is the InChIKey of 1-(1H-indol-5-yl)-5-methylbenzimidazole?
The InChIKey is VZKRZUPJCVFVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3/c1-11-2-5-16-15(8-11)18-10-19(16)13-3-4-14-12(9-13)6-7-17-14/h2-10,17H,1H3.
What are the key properties of 1-(1H-indol-5-yl)-5-methylbenzimidazole?
1-(1H-indol-5-yl)-5-methylbenzimidazole has a molecular weight of 247.30 g/mol, XLogP of 3.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-5-yl)-5-methylbenzimidazole is sourced from PubChem (CID 21474183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).