4-[2-methyl-3-quinolin-4-yl-7-(1,3-thiazol-4-yl)benzimidazol-5-yl]morpholine

C24H21N5OS — CID 134371945

IUPAC4-[2-methyl-3-quinolin-4-yl-7-(1,3-thiazol-4-yl)benzimidazol-5-yl]morpholine
SMILESCc1nc2c(-c3cscn3)cc(N3CCOCC3)cc2n1-c1ccnc2ccccc12
InChIInChI=1S/C24H21N5OS/c1-16-27-24-19(21-14-31-15-26-21)12-17(28-8-10-30-11-9-28)13-23(24)29(16)22-6-7-25-20-5-3-2-4-18(20)22/h2-7,12-15H,8-11H2,1H3
InChIKeyNSKGWVUQOQUCPP-UHFFFAOYSA-N
MW427.53 g/mol
LogP4.84
Rot. Bonds3

About 4-[2-methyl-3-quinolin-4-yl-7-(1,3-thiazol-4-yl)benzimidazol-5-yl]morpholine

4-[2-methyl-3-quinolin-4-yl-7-(1,3-thiazol-4-yl)benzimidazol-5-yl]morpholine (PubChem CID 134371945) has the molecular formula C24H21N5OS and a molecular weight of 427.53 g/mol. Its IUPAC name is 4-[2-methyl-3-quinolin-4-yl-7-(1,3-thiazol-4-yl)benzimidazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[2-methyl-3-quinolin-4-yl-7-(1,3-thiazol-4-yl)benzimidazol-5-yl]morpholine
PubChem CID134371945
Molecular FormulaC24H21N5OS
Molecular Weight427.53 g/mol
Exact Mass427.15
IUPAC Name4-[2-methyl-3-quinolin-4-yl-7-(1,3-thiazol-4-yl)benzimidazol-5-yl]morpholine
SMILESCc1nc2c(-c3cscn3)cc(N3CCOCC3)cc2n1-c1ccnc2ccccc12
InChIInChI=1S/C24H21N5OS/c1-16-27-24-19(21-14-31-15-26-21)12-17(28-8-10-30-11-9-28)13-23(24)29(16)22-6-7-25-20-5-3-2-4-18(20)22/h2-7,12-15H,8-11H2,1H3
InChIKeyNSKGWVUQOQUCPP-UHFFFAOYSA-N
XLogP4.84
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-3-quinolin-4-yl-7-(1,3-thiazol-4-yl)benzimidazol-5-yl]morpholine?
The IUPAC name of 4-[2-methyl-3-quinolin-4-yl-7-(1,3-thiazol-4-yl)benzimidazol-5-yl]morpholine (CID 134371945) is 4-[2-methyl-3-quinolin-4-yl-7-(1,3-thiazol-4-yl)benzimidazol-5-yl]morpholine.
What is the SMILES notation for 4-[2-methyl-3-quinolin-4-yl-7-(1,3-thiazol-4-yl)benzimidazol-5-yl]morpholine?
The canonical SMILES for 4-[2-methyl-3-quinolin-4-yl-7-(1,3-thiazol-4-yl)benzimidazol-5-yl]morpholine is Cc1nc2c(-c3cscn3)cc(N3CCOCC3)cc2n1-c1ccnc2ccccc12.
What is the InChIKey of 4-[2-methyl-3-quinolin-4-yl-7-(1,3-thiazol-4-yl)benzimidazol-5-yl]morpholine?
The InChIKey is NSKGWVUQOQUCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5OS/c1-16-27-24-19(21-14-31-15-26-21)12-17(28-8-10-30-11-9-28)13-23(24)29(16)22-6-7-25-20-5-3-2-4-18(20)22/h2-7,12-15H,8-11H2,1H3.
What are the key properties of 4-[2-methyl-3-quinolin-4-yl-7-(1,3-thiazol-4-yl)benzimidazol-5-yl]morpholine?
4-[2-methyl-3-quinolin-4-yl-7-(1,3-thiazol-4-yl)benzimidazol-5-yl]morpholine has a molecular weight of 427.53 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-3-quinolin-4-yl-7-(1,3-thiazol-4-yl)benzimidazol-5-yl]morpholine is sourced from PubChem (CID 134371945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).