2-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-4,8-dimethylquinoline

C22H23N5 — CID 108773340

IUPAC2-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-4,8-dimethylquinoline
SMILESCc1cc(N2CCN(c3nc4ccccc4[nH]3)CC2)nc2c(C)cccc12
InChIInChI=1S/C22H23N5/c1-15-6-5-7-17-16(2)14-20(25-21(15)17)26-10-12-27(13-11-26)22-23-18-8-3-4-9-19(18)24-22/h3-9,14H,10-13H2,1-2H3,(H,23,24)
InChIKeyCMZRECMUBSYSMK-UHFFFAOYSA-N
MW357.46 g/mol
LogP4.05
Rot. Bonds2

About 2-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-4,8-dimethylquinoline

2-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-4,8-dimethylquinoline (PubChem CID 108773340) has the molecular formula C22H23N5 and a molecular weight of 357.46 g/mol. Its IUPAC name is 2-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-4,8-dimethylquinoline.

Molecular Properties

Compound Name2-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-4,8-dimethylquinoline
PubChem CID108773340
Molecular FormulaC22H23N5
Molecular Weight357.46 g/mol
Exact Mass357.20
IUPAC Name2-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-4,8-dimethylquinoline
SMILESCc1cc(N2CCN(c3nc4ccccc4[nH]3)CC2)nc2c(C)cccc12
InChIInChI=1S/C22H23N5/c1-15-6-5-7-17-16(2)14-20(25-21(15)17)26-10-12-27(13-11-26)22-23-18-8-3-4-9-19(18)24-22/h3-9,14H,10-13H2,1-2H3,(H,23,24)
InChIKeyCMZRECMUBSYSMK-UHFFFAOYSA-N
XLogP4.05
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-4,8-dimethylquinoline?
The IUPAC name of 2-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-4,8-dimethylquinoline (CID 108773340) is 2-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-4,8-dimethylquinoline.
What is the SMILES notation for 2-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-4,8-dimethylquinoline?
The canonical SMILES for 2-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-4,8-dimethylquinoline is Cc1cc(N2CCN(c3nc4ccccc4[nH]3)CC2)nc2c(C)cccc12.
What is the InChIKey of 2-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-4,8-dimethylquinoline?
The InChIKey is CMZRECMUBSYSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5/c1-15-6-5-7-17-16(2)14-20(25-21(15)17)26-10-12-27(13-11-26)22-23-18-8-3-4-9-19(18)24-22/h3-9,14H,10-13H2,1-2H3,(H,23,24).
What are the key properties of 2-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-4,8-dimethylquinoline?
2-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-4,8-dimethylquinoline has a molecular weight of 357.46 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-4,8-dimethylquinoline is sourced from PubChem (CID 108773340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).