7-chloro-4-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperazin-1-yl]quinoline

C27H23ClFN5 — CID 25211979

IUPAC7-chloro-4-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperazin-1-yl]quinoline
SMILESFc1ccc(Cn2c(N3CCN(c4ccnc5cc(Cl)ccc45)CC3)nc3ccccc32)cc1
InChIInChI=1S/C27H23ClFN5/c28-20-7-10-22-24(17-20)30-12-11-25(22)32-13-15-33(16-14-32)27-31-23-3-1-2-4-26(23)34(27)18-19-5-8-21(29)9-6-19/h1-12,17H,13-16,18H2
InChIKeyYUXTWNOTAQMGDN-UHFFFAOYSA-N
MW471.97 g/mol
LogP5.75
Rot. Bonds4

About 7-chloro-4-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperazin-1-yl]quinoline

7-chloro-4-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperazin-1-yl]quinoline (PubChem CID 25211979) has the molecular formula C27H23ClFN5 and a molecular weight of 471.97 g/mol. Its IUPAC name is 7-chloro-4-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperazin-1-yl]quinoline.

Molecular Properties

Compound Name7-chloro-4-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperazin-1-yl]quinoline
PubChem CID25211979
Molecular FormulaC27H23ClFN5
Molecular Weight471.97 g/mol
Exact Mass471.16
IUPAC Name7-chloro-4-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperazin-1-yl]quinoline
SMILESFc1ccc(Cn2c(N3CCN(c4ccnc5cc(Cl)ccc45)CC3)nc3ccccc32)cc1
InChIInChI=1S/C27H23ClFN5/c28-20-7-10-22-24(17-20)30-12-11-25(22)32-13-15-33(16-14-32)27-31-23-3-1-2-4-26(23)34(27)18-19-5-8-21(29)9-6-19/h1-12,17H,13-16,18H2
InChIKeyYUXTWNOTAQMGDN-UHFFFAOYSA-N
XLogP5.75
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.97
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperazin-1-yl]quinoline?
The IUPAC name of 7-chloro-4-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperazin-1-yl]quinoline (CID 25211979) is 7-chloro-4-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperazin-1-yl]quinoline.
What is the SMILES notation for 7-chloro-4-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperazin-1-yl]quinoline?
The canonical SMILES for 7-chloro-4-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperazin-1-yl]quinoline is Fc1ccc(Cn2c(N3CCN(c4ccnc5cc(Cl)ccc45)CC3)nc3ccccc32)cc1.
What is the InChIKey of 7-chloro-4-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperazin-1-yl]quinoline?
The InChIKey is YUXTWNOTAQMGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClFN5/c28-20-7-10-22-24(17-20)30-12-11-25(22)32-13-15-33(16-14-32)27-31-23-3-1-2-4-26(23)34(27)18-19-5-8-21(29)9-6-19/h1-12,17H,13-16,18H2.
What are the key properties of 7-chloro-4-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperazin-1-yl]quinoline?
7-chloro-4-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperazin-1-yl]quinoline has a molecular weight of 471.97 g/mol, XLogP of 5.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperazin-1-yl]quinoline is sourced from PubChem (CID 25211979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).