11-(4-chlorophenyl)-6-phenyl-6,11-dihydrobenzimidazolo[1,2-b]isoquinoline

C27H19ClN2 — CID 15395570

IUPAC11-(4-chlorophenyl)-6-phenyl-6,11-dihydrobenzimidazolo[1,2-b]isoquinoline
SMILESClc1ccc(C2c3ccccc3C(c3ccccc3)c3nc4ccccc4n32)cc1
InChIInChI=1S/C27H19ClN2/c28-20-16-14-19(15-17-20)26-22-11-5-4-10-21(22)25(18-8-2-1-3-9-18)27-29-23-12-6-7-13-24(23)30(26)27/h1-17,25-26H
InChIKeyFYVKXMWJGIBOIV-UHFFFAOYSA-N
MW406.92 g/mol
LogP6.82
Rot. Bonds2

About 11-(4-chlorophenyl)-6-phenyl-6,11-dihydrobenzimidazolo[1,2-b]isoquinoline

11-(4-chlorophenyl)-6-phenyl-6,11-dihydrobenzimidazolo[1,2-b]isoquinoline (PubChem CID 15395570) has the molecular formula C27H19ClN2 and a molecular weight of 406.92 g/mol. Its IUPAC name is 11-(4-chlorophenyl)-6-phenyl-6,11-dihydrobenzimidazolo[1,2-b]isoquinoline.

Molecular Properties

Compound Name11-(4-chlorophenyl)-6-phenyl-6,11-dihydrobenzimidazolo[1,2-b]isoquinoline
PubChem CID15395570
Molecular FormulaC27H19ClN2
Molecular Weight406.92 g/mol
Exact Mass406.12
IUPAC Name11-(4-chlorophenyl)-6-phenyl-6,11-dihydrobenzimidazolo[1,2-b]isoquinoline
SMILESClc1ccc(C2c3ccccc3C(c3ccccc3)c3nc4ccccc4n32)cc1
InChIInChI=1S/C27H19ClN2/c28-20-16-14-19(15-17-20)26-22-11-5-4-10-21(22)25(18-8-2-1-3-9-18)27-29-23-12-6-7-13-24(23)30(26)27/h1-17,25-26H
InChIKeyFYVKXMWJGIBOIV-UHFFFAOYSA-N
XLogP6.82
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.92
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 11-(4-chlorophenyl)-6-phenyl-6,11-dihydrobenzimidazolo[1,2-b]isoquinoline?
The IUPAC name of 11-(4-chlorophenyl)-6-phenyl-6,11-dihydrobenzimidazolo[1,2-b]isoquinoline (CID 15395570) is 11-(4-chlorophenyl)-6-phenyl-6,11-dihydrobenzimidazolo[1,2-b]isoquinoline.
What is the SMILES notation for 11-(4-chlorophenyl)-6-phenyl-6,11-dihydrobenzimidazolo[1,2-b]isoquinoline?
The canonical SMILES for 11-(4-chlorophenyl)-6-phenyl-6,11-dihydrobenzimidazolo[1,2-b]isoquinoline is Clc1ccc(C2c3ccccc3C(c3ccccc3)c3nc4ccccc4n32)cc1.
What is the InChIKey of 11-(4-chlorophenyl)-6-phenyl-6,11-dihydrobenzimidazolo[1,2-b]isoquinoline?
The InChIKey is FYVKXMWJGIBOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19ClN2/c28-20-16-14-19(15-17-20)26-22-11-5-4-10-21(22)25(18-8-2-1-3-9-18)27-29-23-12-6-7-13-24(23)30(26)27/h1-17,25-26H.
What are the key properties of 11-(4-chlorophenyl)-6-phenyl-6,11-dihydrobenzimidazolo[1,2-b]isoquinoline?
11-(4-chlorophenyl)-6-phenyl-6,11-dihydrobenzimidazolo[1,2-b]isoquinoline has a molecular weight of 406.92 g/mol, XLogP of 6.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-chlorophenyl)-6-phenyl-6,11-dihydrobenzimidazolo[1,2-b]isoquinoline is sourced from PubChem (CID 15395570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).