5-[2-[4-(1H-benzimidazol-4-ylmethyl)piperazin-1-yl]ethoxy]-2-methylquinoline

C24H27N5O — CID 10150796

IUPAC5-[2-[4-(1H-benzimidazol-4-ylmethyl)piperazin-1-yl]ethoxy]-2-methylquinoline
SMILESCc1ccc2c(OCCN3CCN(Cc4cccc5[nH]cnc45)CC3)cccc2n1
InChIInChI=1S/C24H27N5O/c1-18-8-9-20-21(27-18)5-3-7-23(20)30-15-14-28-10-12-29(13-11-28)16-19-4-2-6-22-24(19)26-17-25-22/h2-9,17H,10-16H2,1H3,(H,25,26)
InChIKeyFGBDLJIVZVBTAG-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.62
Rot. Bonds6

About 5-[2-[4-(1H-benzimidazol-4-ylmethyl)piperazin-1-yl]ethoxy]-2-methylquinoline

5-[2-[4-(1H-benzimidazol-4-ylmethyl)piperazin-1-yl]ethoxy]-2-methylquinoline (PubChem CID 10150796) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is 5-[2-[4-(1H-benzimidazol-4-ylmethyl)piperazin-1-yl]ethoxy]-2-methylquinoline.

Molecular Properties

Compound Name5-[2-[4-(1H-benzimidazol-4-ylmethyl)piperazin-1-yl]ethoxy]-2-methylquinoline
PubChem CID10150796
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC Name5-[2-[4-(1H-benzimidazol-4-ylmethyl)piperazin-1-yl]ethoxy]-2-methylquinoline
SMILESCc1ccc2c(OCCN3CCN(Cc4cccc5[nH]cnc45)CC3)cccc2n1
InChIInChI=1S/C24H27N5O/c1-18-8-9-20-21(27-18)5-3-7-23(20)30-15-14-28-10-12-29(13-11-28)16-19-4-2-6-22-24(19)26-17-25-22/h2-9,17H,10-16H2,1H3,(H,25,26)
InChIKeyFGBDLJIVZVBTAG-UHFFFAOYSA-N
XLogP3.62
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(1H-benzimidazol-4-ylmethyl)piperazin-1-yl]ethoxy]-2-methylquinoline?
The IUPAC name of 5-[2-[4-(1H-benzimidazol-4-ylmethyl)piperazin-1-yl]ethoxy]-2-methylquinoline (CID 10150796) is 5-[2-[4-(1H-benzimidazol-4-ylmethyl)piperazin-1-yl]ethoxy]-2-methylquinoline.
What is the SMILES notation for 5-[2-[4-(1H-benzimidazol-4-ylmethyl)piperazin-1-yl]ethoxy]-2-methylquinoline?
The canonical SMILES for 5-[2-[4-(1H-benzimidazol-4-ylmethyl)piperazin-1-yl]ethoxy]-2-methylquinoline is Cc1ccc2c(OCCN3CCN(Cc4cccc5[nH]cnc45)CC3)cccc2n1.
What is the InChIKey of 5-[2-[4-(1H-benzimidazol-4-ylmethyl)piperazin-1-yl]ethoxy]-2-methylquinoline?
The InChIKey is FGBDLJIVZVBTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O/c1-18-8-9-20-21(27-18)5-3-7-23(20)30-15-14-28-10-12-29(13-11-28)16-19-4-2-6-22-24(19)26-17-25-22/h2-9,17H,10-16H2,1H3,(H,25,26).
What are the key properties of 5-[2-[4-(1H-benzimidazol-4-ylmethyl)piperazin-1-yl]ethoxy]-2-methylquinoline?
5-[2-[4-(1H-benzimidazol-4-ylmethyl)piperazin-1-yl]ethoxy]-2-methylquinoline has a molecular weight of 401.51 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(1H-benzimidazol-4-ylmethyl)piperazin-1-yl]ethoxy]-2-methylquinoline is sourced from PubChem (CID 10150796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).