4-methyl-1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzimidazole

C22H24N4 — CID 70207091

IUPAC4-methyl-1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzimidazole
SMILESCc1cccc2c1ncn2-c1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1
InChIInChI=1S/C22H24N4/c1-15-5-3-7-21-22(15)24-14-26(21)18-8-9-20-19(12-18)16(13-23-20)11-17-6-4-10-25(17)2/h3,5,7-9,12-14,17,23H,4,6,10-11H2,1-2H3/t17-/m1/s1
InChIKeyRZQRIFCFWZZILE-QGZVFWFLSA-N
MW344.46 g/mol
LogP4.45
Rot. Bonds3

About 4-methyl-1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzimidazole

4-methyl-1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzimidazole (PubChem CID 70207091) has the molecular formula C22H24N4 and a molecular weight of 344.46 g/mol. Its IUPAC name is 4-methyl-1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzimidazole.

Molecular Properties

Compound Name4-methyl-1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzimidazole
PubChem CID70207091
Molecular FormulaC22H24N4
Molecular Weight344.46 g/mol
Exact Mass344.20
IUPAC Name4-methyl-1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzimidazole
SMILESCc1cccc2c1ncn2-c1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1
InChIInChI=1S/C22H24N4/c1-15-5-3-7-21-22(15)24-14-26(21)18-8-9-20-19(12-18)16(13-23-20)11-17-6-4-10-25(17)2/h3,5,7-9,12-14,17,23H,4,6,10-11H2,1-2H3/t17-/m1/s1
InChIKeyRZQRIFCFWZZILE-QGZVFWFLSA-N
XLogP4.45
TPSA36.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzimidazole?
The IUPAC name of 4-methyl-1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzimidazole (CID 70207091) is 4-methyl-1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzimidazole.
What is the SMILES notation for 4-methyl-1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzimidazole?
The canonical SMILES for 4-methyl-1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzimidazole is Cc1cccc2c1ncn2-c1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1.
What is the InChIKey of 4-methyl-1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzimidazole?
The InChIKey is RZQRIFCFWZZILE-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H24N4/c1-15-5-3-7-21-22(15)24-14-26(21)18-8-9-20-19(12-18)16(13-23-20)11-17-6-4-10-25(17)2/h3,5,7-9,12-14,17,23H,4,6,10-11H2,1-2H3/t17-/m1/s1.
What are the key properties of 4-methyl-1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzimidazole?
4-methyl-1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzimidazole has a molecular weight of 344.46 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzimidazole is sourced from PubChem (CID 70207091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).