7-[2-(5-methyl-1-phenylbenzimidazol-2-yl)ethyl]imidazo[1,5-b]pyridazine

C22H19N5 — CID 74049854

IUPAC7-[2-(5-methyl-1-phenylbenzimidazol-2-yl)ethyl]imidazo[1,5-b]pyridazine
SMILESCc1ccc2c(c1)nc(CCc1ncc3cccnn13)n2-c1ccccc1
InChIInChI=1S/C22H19N5/c1-16-9-10-20-19(14-16)25-22(26(20)17-6-3-2-4-7-17)12-11-21-23-15-18-8-5-13-24-27(18)21/h2-10,13-15H,11-12H2,1H3
InChIKeyUVMQXAHTUGJOHF-UHFFFAOYSA-N
MW353.43 g/mol
LogP4.16
Rot. Bonds4

About 7-[2-(5-methyl-1-phenylbenzimidazol-2-yl)ethyl]imidazo[1,5-b]pyridazine

7-[2-(5-methyl-1-phenylbenzimidazol-2-yl)ethyl]imidazo[1,5-b]pyridazine (PubChem CID 74049854) has the molecular formula C22H19N5 and a molecular weight of 353.43 g/mol. Its IUPAC name is 7-[2-(5-methyl-1-phenylbenzimidazol-2-yl)ethyl]imidazo[1,5-b]pyridazine.

Molecular Properties

Compound Name7-[2-(5-methyl-1-phenylbenzimidazol-2-yl)ethyl]imidazo[1,5-b]pyridazine
PubChem CID74049854
Molecular FormulaC22H19N5
Molecular Weight353.43 g/mol
Exact Mass353.16
IUPAC Name7-[2-(5-methyl-1-phenylbenzimidazol-2-yl)ethyl]imidazo[1,5-b]pyridazine
SMILESCc1ccc2c(c1)nc(CCc1ncc3cccnn13)n2-c1ccccc1
InChIInChI=1S/C22H19N5/c1-16-9-10-20-19(14-16)25-22(26(20)17-6-3-2-4-7-17)12-11-21-23-15-18-8-5-13-24-27(18)21/h2-10,13-15H,11-12H2,1H3
InChIKeyUVMQXAHTUGJOHF-UHFFFAOYSA-N
XLogP4.16
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(5-methyl-1-phenylbenzimidazol-2-yl)ethyl]imidazo[1,5-b]pyridazine?
The IUPAC name of 7-[2-(5-methyl-1-phenylbenzimidazol-2-yl)ethyl]imidazo[1,5-b]pyridazine (CID 74049854) is 7-[2-(5-methyl-1-phenylbenzimidazol-2-yl)ethyl]imidazo[1,5-b]pyridazine.
What is the SMILES notation for 7-[2-(5-methyl-1-phenylbenzimidazol-2-yl)ethyl]imidazo[1,5-b]pyridazine?
The canonical SMILES for 7-[2-(5-methyl-1-phenylbenzimidazol-2-yl)ethyl]imidazo[1,5-b]pyridazine is Cc1ccc2c(c1)nc(CCc1ncc3cccnn13)n2-c1ccccc1.
What is the InChIKey of 7-[2-(5-methyl-1-phenylbenzimidazol-2-yl)ethyl]imidazo[1,5-b]pyridazine?
The InChIKey is UVMQXAHTUGJOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5/c1-16-9-10-20-19(14-16)25-22(26(20)17-6-3-2-4-7-17)12-11-21-23-15-18-8-5-13-24-27(18)21/h2-10,13-15H,11-12H2,1H3.
What are the key properties of 7-[2-(5-methyl-1-phenylbenzimidazol-2-yl)ethyl]imidazo[1,5-b]pyridazine?
7-[2-(5-methyl-1-phenylbenzimidazol-2-yl)ethyl]imidazo[1,5-b]pyridazine has a molecular weight of 353.43 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(5-methyl-1-phenylbenzimidazol-2-yl)ethyl]imidazo[1,5-b]pyridazine is sourced from PubChem (CID 74049854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).