8-methyl-6-[2-(5-methyl-1-phenylbenzimidazol-2-yl)ethyl]imidazo[1,5-a]pyrimidine

C23H21N5 — CID 74049853

IUPAC8-methyl-6-[2-(5-methyl-1-phenylbenzimidazol-2-yl)ethyl]imidazo[1,5-a]pyrimidine
SMILESCc1ccc2c(c1)nc(CCc1nc(C)c3ncccn13)n2-c1ccccc1
InChIInChI=1S/C23H21N5/c1-16-9-10-20-19(15-16)26-22(28(20)18-7-4-3-5-8-18)12-11-21-25-17(2)23-24-13-6-14-27(21)23/h3-10,13-15H,11-12H2,1-2H3
InChIKeyVOYXDWSUNQJWTO-UHFFFAOYSA-N
MW367.46 g/mol
LogP4.47
Rot. Bonds4

About 8-methyl-6-[2-(5-methyl-1-phenylbenzimidazol-2-yl)ethyl]imidazo[1,5-a]pyrimidine

8-methyl-6-[2-(5-methyl-1-phenylbenzimidazol-2-yl)ethyl]imidazo[1,5-a]pyrimidine (PubChem CID 74049853) has the molecular formula C23H21N5 and a molecular weight of 367.46 g/mol. Its IUPAC name is 8-methyl-6-[2-(5-methyl-1-phenylbenzimidazol-2-yl)ethyl]imidazo[1,5-a]pyrimidine.

Molecular Properties

Compound Name8-methyl-6-[2-(5-methyl-1-phenylbenzimidazol-2-yl)ethyl]imidazo[1,5-a]pyrimidine
PubChem CID74049853
Molecular FormulaC23H21N5
Molecular Weight367.46 g/mol
Exact Mass367.18
IUPAC Name8-methyl-6-[2-(5-methyl-1-phenylbenzimidazol-2-yl)ethyl]imidazo[1,5-a]pyrimidine
SMILESCc1ccc2c(c1)nc(CCc1nc(C)c3ncccn13)n2-c1ccccc1
InChIInChI=1S/C23H21N5/c1-16-9-10-20-19(15-16)26-22(28(20)18-7-4-3-5-8-18)12-11-21-25-17(2)23-24-13-6-14-27(21)23/h3-10,13-15H,11-12H2,1-2H3
InChIKeyVOYXDWSUNQJWTO-UHFFFAOYSA-N
XLogP4.47
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-6-[2-(5-methyl-1-phenylbenzimidazol-2-yl)ethyl]imidazo[1,5-a]pyrimidine?
The IUPAC name of 8-methyl-6-[2-(5-methyl-1-phenylbenzimidazol-2-yl)ethyl]imidazo[1,5-a]pyrimidine (CID 74049853) is 8-methyl-6-[2-(5-methyl-1-phenylbenzimidazol-2-yl)ethyl]imidazo[1,5-a]pyrimidine.
What is the SMILES notation for 8-methyl-6-[2-(5-methyl-1-phenylbenzimidazol-2-yl)ethyl]imidazo[1,5-a]pyrimidine?
The canonical SMILES for 8-methyl-6-[2-(5-methyl-1-phenylbenzimidazol-2-yl)ethyl]imidazo[1,5-a]pyrimidine is Cc1ccc2c(c1)nc(CCc1nc(C)c3ncccn13)n2-c1ccccc1.
What is the InChIKey of 8-methyl-6-[2-(5-methyl-1-phenylbenzimidazol-2-yl)ethyl]imidazo[1,5-a]pyrimidine?
The InChIKey is VOYXDWSUNQJWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5/c1-16-9-10-20-19(15-16)26-22(28(20)18-7-4-3-5-8-18)12-11-21-25-17(2)23-24-13-6-14-27(21)23/h3-10,13-15H,11-12H2,1-2H3.
What are the key properties of 8-methyl-6-[2-(5-methyl-1-phenylbenzimidazol-2-yl)ethyl]imidazo[1,5-a]pyrimidine?
8-methyl-6-[2-(5-methyl-1-phenylbenzimidazol-2-yl)ethyl]imidazo[1,5-a]pyrimidine has a molecular weight of 367.46 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-6-[2-(5-methyl-1-phenylbenzimidazol-2-yl)ethyl]imidazo[1,5-a]pyrimidine is sourced from PubChem (CID 74049853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).