4-[3-(8-chloroquinolin-4-yl)-7-(1H-imidazol-5-yl)-2-propylbenzimidazol-5-yl]morpholine

C26H25ClN6O — CID 134371903

IUPAC4-[3-(8-chloroquinolin-4-yl)-7-(1H-imidazol-5-yl)-2-propylbenzimidazol-5-yl]morpholine
SMILESCCCc1nc2c(-c3cnc[nH]3)cc(N3CCOCC3)cc2n1-c1ccnc2c(Cl)cccc12
InChIInChI=1S/C26H25ClN6O/c1-2-4-24-31-26-19(21-15-28-16-30-21)13-17(32-9-11-34-12-10-32)14-23(26)33(24)22-7-8-29-25-18(22)5-3-6-20(25)27/h3,5-8,13-16H,2,4,9-12H2,1H3,(H,28,30)
InChIKeyOUWHCACWRPHTLE-UHFFFAOYSA-N
MW472.98 g/mol
LogP5.41
Rot. Bonds5

About 4-[3-(8-chloroquinolin-4-yl)-7-(1H-imidazol-5-yl)-2-propylbenzimidazol-5-yl]morpholine

4-[3-(8-chloroquinolin-4-yl)-7-(1H-imidazol-5-yl)-2-propylbenzimidazol-5-yl]morpholine (PubChem CID 134371903) has the molecular formula C26H25ClN6O and a molecular weight of 472.98 g/mol. Its IUPAC name is 4-[3-(8-chloroquinolin-4-yl)-7-(1H-imidazol-5-yl)-2-propylbenzimidazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[3-(8-chloroquinolin-4-yl)-7-(1H-imidazol-5-yl)-2-propylbenzimidazol-5-yl]morpholine
PubChem CID134371903
Molecular FormulaC26H25ClN6O
Molecular Weight472.98 g/mol
Exact Mass472.18
IUPAC Name4-[3-(8-chloroquinolin-4-yl)-7-(1H-imidazol-5-yl)-2-propylbenzimidazol-5-yl]morpholine
SMILESCCCc1nc2c(-c3cnc[nH]3)cc(N3CCOCC3)cc2n1-c1ccnc2c(Cl)cccc12
InChIInChI=1S/C26H25ClN6O/c1-2-4-24-31-26-19(21-15-28-16-30-21)13-17(32-9-11-34-12-10-32)14-23(26)33(24)22-7-8-29-25-18(22)5-3-6-20(25)27/h3,5-8,13-16H,2,4,9-12H2,1H3,(H,28,30)
InChIKeyOUWHCACWRPHTLE-UHFFFAOYSA-N
XLogP5.41
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.98
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(8-chloroquinolin-4-yl)-7-(1H-imidazol-5-yl)-2-propylbenzimidazol-5-yl]morpholine?
The IUPAC name of 4-[3-(8-chloroquinolin-4-yl)-7-(1H-imidazol-5-yl)-2-propylbenzimidazol-5-yl]morpholine (CID 134371903) is 4-[3-(8-chloroquinolin-4-yl)-7-(1H-imidazol-5-yl)-2-propylbenzimidazol-5-yl]morpholine.
What is the SMILES notation for 4-[3-(8-chloroquinolin-4-yl)-7-(1H-imidazol-5-yl)-2-propylbenzimidazol-5-yl]morpholine?
The canonical SMILES for 4-[3-(8-chloroquinolin-4-yl)-7-(1H-imidazol-5-yl)-2-propylbenzimidazol-5-yl]morpholine is CCCc1nc2c(-c3cnc[nH]3)cc(N3CCOCC3)cc2n1-c1ccnc2c(Cl)cccc12.
What is the InChIKey of 4-[3-(8-chloroquinolin-4-yl)-7-(1H-imidazol-5-yl)-2-propylbenzimidazol-5-yl]morpholine?
The InChIKey is OUWHCACWRPHTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN6O/c1-2-4-24-31-26-19(21-15-28-16-30-21)13-17(32-9-11-34-12-10-32)14-23(26)33(24)22-7-8-29-25-18(22)5-3-6-20(25)27/h3,5-8,13-16H,2,4,9-12H2,1H3,(H,28,30).
What are the key properties of 4-[3-(8-chloroquinolin-4-yl)-7-(1H-imidazol-5-yl)-2-propylbenzimidazol-5-yl]morpholine?
4-[3-(8-chloroquinolin-4-yl)-7-(1H-imidazol-5-yl)-2-propylbenzimidazol-5-yl]morpholine has a molecular weight of 472.98 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(8-chloroquinolin-4-yl)-7-(1H-imidazol-5-yl)-2-propylbenzimidazol-5-yl]morpholine is sourced from PubChem (CID 134371903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).