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

C21H22N4 — CID 15411338

IUPAC1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzimidazole
SMILESCN1CCC[C@@H]1Cc1c[nH]c2ccc(-n3cnc4ccccc43)cc12
InChIInChI=1S/C21H22N4/c1-24-10-4-5-16(24)11-15-13-22-19-9-8-17(12-18(15)19)25-14-23-20-6-2-3-7-21(20)25/h2-3,6-9,12-14,16,22H,4-5,10-11H2,1H3/t16-/m1/s1
InChIKeyZFPVOBQMGRHOBJ-MRXNPFEDSA-N
MW330.44 g/mol
LogP4.14
Rot. Bonds3

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

1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzimidazole (PubChem CID 15411338) has the molecular formula C21H22N4 and a molecular weight of 330.44 g/mol. Its IUPAC name is 1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzimidazole.

Molecular Properties

Compound Name1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzimidazole
PubChem CID15411338
Molecular FormulaC21H22N4
Molecular Weight330.44 g/mol
Exact Mass330.18
IUPAC Name1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzimidazole
SMILESCN1CCC[C@@H]1Cc1c[nH]c2ccc(-n3cnc4ccccc43)cc12
InChIInChI=1S/C21H22N4/c1-24-10-4-5-16(24)11-15-13-22-19-9-8-17(12-18(15)19)25-14-23-20-6-2-3-7-21(20)25/h2-3,6-9,12-14,16,22H,4-5,10-11H2,1H3/t16-/m1/s1
InChIKeyZFPVOBQMGRHOBJ-MRXNPFEDSA-N
XLogP4.14
TPSA36.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzimidazole?
The IUPAC name of 1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzimidazole (CID 15411338) is 1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzimidazole.
What is the SMILES notation for 1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzimidazole?
The canonical SMILES for 1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzimidazole is CN1CCC[C@@H]1Cc1c[nH]c2ccc(-n3cnc4ccccc43)cc12.
What is the InChIKey of 1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzimidazole?
The InChIKey is ZFPVOBQMGRHOBJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H22N4/c1-24-10-4-5-16(24)11-15-13-22-19-9-8-17(12-18(15)19)25-14-23-20-6-2-3-7-21(20)25/h2-3,6-9,12-14,16,22H,4-5,10-11H2,1H3/t16-/m1/s1.
What are the key properties of 1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzimidazole?
1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzimidazole has a molecular weight of 330.44 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzimidazole is sourced from PubChem (CID 15411338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).