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

C23H23N5O3 — CID 155162795

IUPACazetidin-1-yl-[2,6-dimethoxy-4-[5-(5-methyl-1H-pyrazol-4-yl)benzimidazol-1-yl]phenyl]methanone
SMILESCOc1cc(-n2cnc3cc(-c4cn[nH]c4C)ccc32)cc(OC)c1C(=O)N1CCC1
InChIInChI=1S/C23H23N5O3/c1-14-17(12-25-26-14)15-5-6-19-18(9-15)24-13-28(19)16-10-20(30-2)22(21(11-16)31-3)23(29)27-7-4-8-27/h5-6,9-13H,4,7-8H2,1-3H3,(H,25,26)
InChIKeyFPAMVSGTJPCWPN-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.59
Rot. Bonds5

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

azetidin-1-yl-[2,6-dimethoxy-4-[5-(5-methyl-1H-pyrazol-4-yl)benzimidazol-1-yl]phenyl]methanone (PubChem CID 155162795) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is azetidin-1-yl-[2,6-dimethoxy-4-[5-(5-methyl-1H-pyrazol-4-yl)benzimidazol-1-yl]phenyl]methanone.

Molecular Properties

Compound Nameazetidin-1-yl-[2,6-dimethoxy-4-[5-(5-methyl-1H-pyrazol-4-yl)benzimidazol-1-yl]phenyl]methanone
PubChem CID155162795
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC Nameazetidin-1-yl-[2,6-dimethoxy-4-[5-(5-methyl-1H-pyrazol-4-yl)benzimidazol-1-yl]phenyl]methanone
SMILESCOc1cc(-n2cnc3cc(-c4cn[nH]c4C)ccc32)cc(OC)c1C(=O)N1CCC1
InChIInChI=1S/C23H23N5O3/c1-14-17(12-25-26-14)15-5-6-19-18(9-15)24-13-28(19)16-10-20(30-2)22(21(11-16)31-3)23(29)27-7-4-8-27/h5-6,9-13H,4,7-8H2,1-3H3,(H,25,26)
InChIKeyFPAMVSGTJPCWPN-UHFFFAOYSA-N
XLogP3.59
TPSA85.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[2,6-dimethoxy-4-[5-(5-methyl-1H-pyrazol-4-yl)benzimidazol-1-yl]phenyl]methanone?
The IUPAC name of azetidin-1-yl-[2,6-dimethoxy-4-[5-(5-methyl-1H-pyrazol-4-yl)benzimidazol-1-yl]phenyl]methanone (CID 155162795) is azetidin-1-yl-[2,6-dimethoxy-4-[5-(5-methyl-1H-pyrazol-4-yl)benzimidazol-1-yl]phenyl]methanone.
What is the SMILES notation for azetidin-1-yl-[2,6-dimethoxy-4-[5-(5-methyl-1H-pyrazol-4-yl)benzimidazol-1-yl]phenyl]methanone?
The canonical SMILES for azetidin-1-yl-[2,6-dimethoxy-4-[5-(5-methyl-1H-pyrazol-4-yl)benzimidazol-1-yl]phenyl]methanone is COc1cc(-n2cnc3cc(-c4cn[nH]c4C)ccc32)cc(OC)c1C(=O)N1CCC1.
What is the InChIKey of azetidin-1-yl-[2,6-dimethoxy-4-[5-(5-methyl-1H-pyrazol-4-yl)benzimidazol-1-yl]phenyl]methanone?
The InChIKey is FPAMVSGTJPCWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-14-17(12-25-26-14)15-5-6-19-18(9-15)24-13-28(19)16-10-20(30-2)22(21(11-16)31-3)23(29)27-7-4-8-27/h5-6,9-13H,4,7-8H2,1-3H3,(H,25,26).
What are the key properties of azetidin-1-yl-[2,6-dimethoxy-4-[5-(5-methyl-1H-pyrazol-4-yl)benzimidazol-1-yl]phenyl]methanone?
azetidin-1-yl-[2,6-dimethoxy-4-[5-(5-methyl-1H-pyrazol-4-yl)benzimidazol-1-yl]phenyl]methanone has a molecular weight of 417.47 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-[2,6-dimethoxy-4-[5-(5-methyl-1H-pyrazol-4-yl)benzimidazol-1-yl]phenyl]methanone is sourced from PubChem (CID 155162795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).