1H-benzimidazol-2-yl-[4-[[3-(1-methylpyrazol-4-yl)-2-pyridinyl]oxy]phenyl]methanone

C23H17N5O2 — CID 59326779

IUPAC1H-benzimidazol-2-yl-[4-[[3-(1-methylpyrazol-4-yl)-2-pyridinyl]oxy]phenyl]methanone
SMILESCn1cc(-c2cccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)cn1
InChIInChI=1S/C23H17N5O2/c1-28-14-16(13-25-28)18-5-4-12-24-23(18)30-17-10-8-15(9-11-17)21(29)22-26-19-6-2-3-7-20(19)27-22/h2-14H,1H3,(H,26,27)
InChIKeyBOGCZOWPSHBNFV-UHFFFAOYSA-N
MW395.42 g/mol
LogP4.38
Rot. Bonds5

About 1H-benzimidazol-2-yl-[4-[[3-(1-methylpyrazol-4-yl)-2-pyridinyl]oxy]phenyl]methanone

1H-benzimidazol-2-yl-[4-[[3-(1-methylpyrazol-4-yl)-2-pyridinyl]oxy]phenyl]methanone (PubChem CID 59326779) has the molecular formula C23H17N5O2 and a molecular weight of 395.42 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[4-[[3-(1-methylpyrazol-4-yl)-2-pyridinyl]oxy]phenyl]methanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-[4-[[3-(1-methylpyrazol-4-yl)-2-pyridinyl]oxy]phenyl]methanone
PubChem CID59326779
Molecular FormulaC23H17N5O2
Molecular Weight395.42 g/mol
Exact Mass395.14
IUPAC Name1H-benzimidazol-2-yl-[4-[[3-(1-methylpyrazol-4-yl)-2-pyridinyl]oxy]phenyl]methanone
SMILESCn1cc(-c2cccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)cn1
InChIInChI=1S/C23H17N5O2/c1-28-14-16(13-25-28)18-5-4-12-24-23(18)30-17-10-8-15(9-11-17)21(29)22-26-19-6-2-3-7-20(19)27-22/h2-14H,1H3,(H,26,27)
InChIKeyBOGCZOWPSHBNFV-UHFFFAOYSA-N
XLogP4.38
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl-[4-[[3-(1-methylpyrazol-4-yl)-2-pyridinyl]oxy]phenyl]methanone?
The IUPAC name of 1H-benzimidazol-2-yl-[4-[[3-(1-methylpyrazol-4-yl)-2-pyridinyl]oxy]phenyl]methanone (CID 59326779) is 1H-benzimidazol-2-yl-[4-[[3-(1-methylpyrazol-4-yl)-2-pyridinyl]oxy]phenyl]methanone.
What is the SMILES notation for 1H-benzimidazol-2-yl-[4-[[3-(1-methylpyrazol-4-yl)-2-pyridinyl]oxy]phenyl]methanone?
The canonical SMILES for 1H-benzimidazol-2-yl-[4-[[3-(1-methylpyrazol-4-yl)-2-pyridinyl]oxy]phenyl]methanone is Cn1cc(-c2cccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)cn1.
What is the InChIKey of 1H-benzimidazol-2-yl-[4-[[3-(1-methylpyrazol-4-yl)-2-pyridinyl]oxy]phenyl]methanone?
The InChIKey is BOGCZOWPSHBNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O2/c1-28-14-16(13-25-28)18-5-4-12-24-23(18)30-17-10-8-15(9-11-17)21(29)22-26-19-6-2-3-7-20(19)27-22/h2-14H,1H3,(H,26,27).
What are the key properties of 1H-benzimidazol-2-yl-[4-[[3-(1-methylpyrazol-4-yl)-2-pyridinyl]oxy]phenyl]methanone?
1H-benzimidazol-2-yl-[4-[[3-(1-methylpyrazol-4-yl)-2-pyridinyl]oxy]phenyl]methanone has a molecular weight of 395.42 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-yl-[4-[[3-(1-methylpyrazol-4-yl)-2-pyridinyl]oxy]phenyl]methanone is sourced from PubChem (CID 59326779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).