[2,6-dimethoxy-4-[5-(5-methyl-1H-pyrazol-4-yl)benzimidazol-1-yl]phenyl]-(2-methylazetidin-1-yl)methanone

C24H25N5O3 — CID 155162793

IUPAC[2,6-dimethoxy-4-[5-(5-methyl-1H-pyrazol-4-yl)benzimidazol-1-yl]phenyl]-(2-methylazetidin-1-yl)methanone
SMILESCOc1cc(-n2cnc3cc(-c4cn[nH]c4C)ccc32)cc(OC)c1C(=O)N1CCC1C
InChIInChI=1S/C24H25N5O3/c1-14-7-8-28(14)24(30)23-21(31-3)10-17(11-22(23)32-4)29-13-25-19-9-16(5-6-20(19)29)18-12-26-27-15(18)2/h5-6,9-14H,7-8H2,1-4H3,(H,26,27)
InChIKeyFCNFADKSOABLOB-UHFFFAOYSA-N
MW431.50 g/mol
LogP3.98
Rot. Bonds5

About [2,6-dimethoxy-4-[5-(5-methyl-1H-pyrazol-4-yl)benzimidazol-1-yl]phenyl]-(2-methylazetidin-1-yl)methanone

[2,6-dimethoxy-4-[5-(5-methyl-1H-pyrazol-4-yl)benzimidazol-1-yl]phenyl]-(2-methylazetidin-1-yl)methanone (PubChem CID 155162793) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is [2,6-dimethoxy-4-[5-(5-methyl-1H-pyrazol-4-yl)benzimidazol-1-yl]phenyl]-(2-methylazetidin-1-yl)methanone.

Molecular Properties

Compound Name[2,6-dimethoxy-4-[5-(5-methyl-1H-pyrazol-4-yl)benzimidazol-1-yl]phenyl]-(2-methylazetidin-1-yl)methanone
PubChem CID155162793
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name[2,6-dimethoxy-4-[5-(5-methyl-1H-pyrazol-4-yl)benzimidazol-1-yl]phenyl]-(2-methylazetidin-1-yl)methanone
SMILESCOc1cc(-n2cnc3cc(-c4cn[nH]c4C)ccc32)cc(OC)c1C(=O)N1CCC1C
InChIInChI=1S/C24H25N5O3/c1-14-7-8-28(14)24(30)23-21(31-3)10-17(11-22(23)32-4)29-13-25-19-9-16(5-6-20(19)29)18-12-26-27-15(18)2/h5-6,9-14H,7-8H2,1-4H3,(H,26,27)
InChIKeyFCNFADKSOABLOB-UHFFFAOYSA-N
XLogP3.98
TPSA85.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2,6-dimethoxy-4-[5-(5-methyl-1H-pyrazol-4-yl)benzimidazol-1-yl]phenyl]-(2-methylazetidin-1-yl)methanone?
The IUPAC name of [2,6-dimethoxy-4-[5-(5-methyl-1H-pyrazol-4-yl)benzimidazol-1-yl]phenyl]-(2-methylazetidin-1-yl)methanone (CID 155162793) is [2,6-dimethoxy-4-[5-(5-methyl-1H-pyrazol-4-yl)benzimidazol-1-yl]phenyl]-(2-methylazetidin-1-yl)methanone.
What is the SMILES notation for [2,6-dimethoxy-4-[5-(5-methyl-1H-pyrazol-4-yl)benzimidazol-1-yl]phenyl]-(2-methylazetidin-1-yl)methanone?
The canonical SMILES for [2,6-dimethoxy-4-[5-(5-methyl-1H-pyrazol-4-yl)benzimidazol-1-yl]phenyl]-(2-methylazetidin-1-yl)methanone is COc1cc(-n2cnc3cc(-c4cn[nH]c4C)ccc32)cc(OC)c1C(=O)N1CCC1C.
What is the InChIKey of [2,6-dimethoxy-4-[5-(5-methyl-1H-pyrazol-4-yl)benzimidazol-1-yl]phenyl]-(2-methylazetidin-1-yl)methanone?
The InChIKey is FCNFADKSOABLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-14-7-8-28(14)24(30)23-21(31-3)10-17(11-22(23)32-4)29-13-25-19-9-16(5-6-20(19)29)18-12-26-27-15(18)2/h5-6,9-14H,7-8H2,1-4H3,(H,26,27).
What are the key properties of [2,6-dimethoxy-4-[5-(5-methyl-1H-pyrazol-4-yl)benzimidazol-1-yl]phenyl]-(2-methylazetidin-1-yl)methanone?
[2,6-dimethoxy-4-[5-(5-methyl-1H-pyrazol-4-yl)benzimidazol-1-yl]phenyl]-(2-methylazetidin-1-yl)methanone has a molecular weight of 431.50 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-dimethoxy-4-[5-(5-methyl-1H-pyrazol-4-yl)benzimidazol-1-yl]phenyl]-(2-methylazetidin-1-yl)methanone is sourced from PubChem (CID 155162793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).