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

C22H24N4 — CID 23223098

IUPAC4-methyl-1-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]benzimidazole
SMILESCc1cccc2c1ncn2-c1ccc2[nH]cc(CC3CCCN3C)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
InChIKeyRZQRIFCFWZZILE-UHFFFAOYSA-N
MW344.46 g/mol
LogP4.45
Rot. Bonds3

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

4-methyl-1-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]benzimidazole (PubChem CID 23223098) has the molecular formula C22H24N4 and a molecular weight of 344.46 g/mol. Its IUPAC name is 4-methyl-1-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]benzimidazole.

Molecular Properties

Compound Name4-methyl-1-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]benzimidazole
PubChem CID23223098
Molecular FormulaC22H24N4
Molecular Weight344.46 g/mol
Exact Mass344.20
IUPAC Name4-methyl-1-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]benzimidazole
SMILESCc1cccc2c1ncn2-c1ccc2[nH]cc(CC3CCCN3C)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
InChIKeyRZQRIFCFWZZILE-UHFFFAOYSA-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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Related Compounds

4-methyl-1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzimidazole
CID 70207091
5-methyl-1-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]benzimidazole
CID 70139410
5-bromo-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole
CID 15521562
1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-2,3-dihydroimidazo[4,5-b]pyridine
CID 54438250
3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-amine
CID 59715791
5-fluoro-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
CID 54476619
5-ethenyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
CID 10220397
N,N-dibenzyl-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-amine
CID 54377816
3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58172476
N-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole-5-sulfonamide
CID 163863896
N-(4-methyl-3-nitro-2-pyridinyl)-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-amine;3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-amine
CID 161394962
[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]thiourea
CID 19040775

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]benzimidazole?
The IUPAC name of 4-methyl-1-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]benzimidazole (CID 23223098) is 4-methyl-1-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]benzimidazole.
What is the SMILES notation for 4-methyl-1-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]benzimidazole?
The canonical SMILES for 4-methyl-1-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]benzimidazole is Cc1cccc2c1ncn2-c1ccc2[nH]cc(CC3CCCN3C)c2c1.
What is the InChIKey of 4-methyl-1-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]benzimidazole?
The InChIKey is RZQRIFCFWZZILE-UHFFFAOYSA-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.
What are the key properties of 4-methyl-1-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]benzimidazole?
4-methyl-1-[3-[(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-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]benzimidazole is sourced from PubChem (CID 23223098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).