2-[(1-methylindol-3-yl)methyl]-1H-benzimidazole

C17H15N3 — CID 141019413

IUPAC2-[(1-methylindol-3-yl)methyl]-1H-benzimidazole
SMILESCn1cc(Cc2nc3ccccc3[nH]2)c2ccccc21
InChIInChI=1S/C17H15N3/c1-20-11-12(13-6-2-5-9-16(13)20)10-17-18-14-7-3-4-8-15(14)19-17/h2-9,11H,10H2,1H3,(H,18,19)
InChIKeyAFJBHTXGAHYZIC-UHFFFAOYSA-N
MW261.33 g/mol
LogP3.65
Rot. Bonds2

About 2-[(1-methylindol-3-yl)methyl]-1H-benzimidazole

2-[(1-methylindol-3-yl)methyl]-1H-benzimidazole (PubChem CID 141019413) has the molecular formula C17H15N3 and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-[(1-methylindol-3-yl)methyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(1-methylindol-3-yl)methyl]-1H-benzimidazole
PubChem CID141019413
Molecular FormulaC17H15N3
Molecular Weight261.33 g/mol
Exact Mass261.13
IUPAC Name2-[(1-methylindol-3-yl)methyl]-1H-benzimidazole
SMILESCn1cc(Cc2nc3ccccc3[nH]2)c2ccccc21
InChIInChI=1S/C17H15N3/c1-20-11-12(13-6-2-5-9-16(13)20)10-17-18-14-7-3-4-8-15(14)19-17/h2-9,11H,10H2,1H3,(H,18,19)
InChIKeyAFJBHTXGAHYZIC-UHFFFAOYSA-N
XLogP3.65
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 53.65
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)methyl]-1H-benzimidazole?
The IUPAC name of 2-[(1-methylindol-3-yl)methyl]-1H-benzimidazole (CID 141019413) is 2-[(1-methylindol-3-yl)methyl]-1H-benzimidazole.
What is the SMILES notation for 2-[(1-methylindol-3-yl)methyl]-1H-benzimidazole?
The canonical SMILES for 2-[(1-methylindol-3-yl)methyl]-1H-benzimidazole is Cn1cc(Cc2nc3ccccc3[nH]2)c2ccccc21.
What is the InChIKey of 2-[(1-methylindol-3-yl)methyl]-1H-benzimidazole?
The InChIKey is AFJBHTXGAHYZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3/c1-20-11-12(13-6-2-5-9-16(13)20)10-17-18-14-7-3-4-8-15(14)19-17/h2-9,11H,10H2,1H3,(H,18,19).
What are the key properties of 2-[(1-methylindol-3-yl)methyl]-1H-benzimidazole?
2-[(1-methylindol-3-yl)methyl]-1H-benzimidazole has a molecular weight of 261.33 g/mol, XLogP of 3.65, 2 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)methyl]-1H-benzimidazole is sourced from PubChem (CID 141019413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).