2-(1-methylindol-3-yl)-1H-benzimidazole

C16H13N3 — CID 874111

IUPAC2-(1-methylindol-3-yl)-1H-benzimidazole
SMILESCn1cc(-c2nc3ccccc3[nH]2)c2ccccc21
InChIInChI=1S/C16H13N3/c1-19-10-12(11-6-2-5-9-15(11)19)16-17-13-7-3-4-8-14(13)18-16/h2-10H,1H3,(H,17,18)
InChIKeyVAOJPVFGQGCSBH-UHFFFAOYSA-N
MW247.30 g/mol
LogP3.72
Rot. Bonds1

About 2-(1-methylindol-3-yl)-1H-benzimidazole

2-(1-methylindol-3-yl)-1H-benzimidazole (PubChem CID 874111) has the molecular formula C16H13N3 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-(1-methylindol-3-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(1-methylindol-3-yl)-1H-benzimidazole
PubChem CID874111
Molecular FormulaC16H13N3
Molecular Weight247.30 g/mol
Exact Mass247.11
IUPAC Name2-(1-methylindol-3-yl)-1H-benzimidazole
SMILESCn1cc(-c2nc3ccccc3[nH]2)c2ccccc21
InChIInChI=1S/C16H13N3/c1-19-10-12(11-6-2-5-9-15(11)19)16-17-13-7-3-4-8-14(13)18-16/h2-10H,1H3,(H,17,18)
InChIKeyVAOJPVFGQGCSBH-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindol-3-yl)-1H-benzimidazole?
The IUPAC name of 2-(1-methylindol-3-yl)-1H-benzimidazole (CID 874111) is 2-(1-methylindol-3-yl)-1H-benzimidazole.
What is the SMILES notation for 2-(1-methylindol-3-yl)-1H-benzimidazole?
The canonical SMILES for 2-(1-methylindol-3-yl)-1H-benzimidazole is Cn1cc(-c2nc3ccccc3[nH]2)c2ccccc21.
What is the InChIKey of 2-(1-methylindol-3-yl)-1H-benzimidazole?
The InChIKey is VAOJPVFGQGCSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3/c1-19-10-12(11-6-2-5-9-15(11)19)16-17-13-7-3-4-8-14(13)18-16/h2-10H,1H3,(H,17,18).
What are the key properties of 2-(1-methylindol-3-yl)-1H-benzimidazole?
2-(1-methylindol-3-yl)-1H-benzimidazole has a molecular weight of 247.30 g/mol, XLogP of 3.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-3-yl)-1H-benzimidazole is sourced from PubChem (CID 874111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).