1-methyl-2-[1-[3-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]propyl]pyrrolidin-2-yl]benzimidazole

C27H34N6 — CID 167934115

IUPAC1-methyl-2-[1-[3-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]propyl]pyrrolidin-2-yl]benzimidazole
SMILESCn1c(C2CCCN2CCCN2CCCC2c2nc3ccccc3n2C)nc2ccccc21
InChIInChI=1S/C27H34N6/c1-30-22-12-5-3-10-20(22)28-26(30)24-14-7-16-32(24)18-9-19-33-17-8-15-25(33)27-29-21-11-4-6-13-23(21)31(27)2/h3-6,10-13,24-25H,7-9,14-19H2,1-2H3
InChIKeyAMJASBMCQOIXEH-UHFFFAOYSA-N
MW442.61 g/mol
LogP4.82
Rot. Bonds6

About 1-methyl-2-[1-[3-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]propyl]pyrrolidin-2-yl]benzimidazole

1-methyl-2-[1-[3-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]propyl]pyrrolidin-2-yl]benzimidazole (PubChem CID 167934115) has the molecular formula C27H34N6 and a molecular weight of 442.61 g/mol. Its IUPAC name is 1-methyl-2-[1-[3-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]propyl]pyrrolidin-2-yl]benzimidazole.

Molecular Properties

Compound Name1-methyl-2-[1-[3-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]propyl]pyrrolidin-2-yl]benzimidazole
PubChem CID167934115
Molecular FormulaC27H34N6
Molecular Weight442.61 g/mol
Exact Mass442.28
IUPAC Name1-methyl-2-[1-[3-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]propyl]pyrrolidin-2-yl]benzimidazole
SMILESCn1c(C2CCCN2CCCN2CCCC2c2nc3ccccc3n2C)nc2ccccc21
InChIInChI=1S/C27H34N6/c1-30-22-12-5-3-10-20(22)28-26(30)24-14-7-16-32(24)18-9-19-33-17-8-15-25(33)27-29-21-11-4-6-13-23(21)31(27)2/h3-6,10-13,24-25H,7-9,14-19H2,1-2H3
InChIKeyAMJASBMCQOIXEH-UHFFFAOYSA-N
XLogP4.82
TPSA42.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.61
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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1-methyl-2-(1-piperidin-4-ylpyrrolidin-2-yl)benzimidazole
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5-[[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole
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3-[2-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[1-[3-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]propyl]pyrrolidin-2-yl]benzimidazole?
The IUPAC name of 1-methyl-2-[1-[3-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]propyl]pyrrolidin-2-yl]benzimidazole (CID 167934115) is 1-methyl-2-[1-[3-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]propyl]pyrrolidin-2-yl]benzimidazole.
What is the SMILES notation for 1-methyl-2-[1-[3-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]propyl]pyrrolidin-2-yl]benzimidazole?
The canonical SMILES for 1-methyl-2-[1-[3-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]propyl]pyrrolidin-2-yl]benzimidazole is Cn1c(C2CCCN2CCCN2CCCC2c2nc3ccccc3n2C)nc2ccccc21.
What is the InChIKey of 1-methyl-2-[1-[3-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]propyl]pyrrolidin-2-yl]benzimidazole?
The InChIKey is AMJASBMCQOIXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6/c1-30-22-12-5-3-10-20(22)28-26(30)24-14-7-16-32(24)18-9-19-33-17-8-15-25(33)27-29-21-11-4-6-13-23(21)31(27)2/h3-6,10-13,24-25H,7-9,14-19H2,1-2H3.
What are the key properties of 1-methyl-2-[1-[3-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]propyl]pyrrolidin-2-yl]benzimidazole?
1-methyl-2-[1-[3-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]propyl]pyrrolidin-2-yl]benzimidazole has a molecular weight of 442.61 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[1-[3-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]propyl]pyrrolidin-2-yl]benzimidazole is sourced from PubChem (CID 167934115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).