1-(2,2-dimethylpropyl)-3-methyl-5-[6-(2-methylpyrazol-3-yl)oxy-2-pyridinyl]benzimidazol-2-one

C22H25N5O2 — CID 66750020

IUPAC1-(2,2-dimethylpropyl)-3-methyl-5-[6-(2-methylpyrazol-3-yl)oxy-2-pyridinyl]benzimidazol-2-one
SMILESCn1nccc1Oc1cccc(-c2ccc3c(c2)n(C)c(=O)n3CC(C)(C)C)n1
InChIInChI=1S/C22H25N5O2/c1-22(2,3)14-27-17-10-9-15(13-18(17)25(4)21(27)28)16-7-6-8-19(24-16)29-20-11-12-23-26(20)5/h6-13H,14H2,1-5H3
InChIKeyMRGZLTYKRWUKBW-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.97
Rot. Bonds4

About 1-(2,2-dimethylpropyl)-3-methyl-5-[6-(2-methylpyrazol-3-yl)oxy-2-pyridinyl]benzimidazol-2-one

1-(2,2-dimethylpropyl)-3-methyl-5-[6-(2-methylpyrazol-3-yl)oxy-2-pyridinyl]benzimidazol-2-one (PubChem CID 66750020) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-3-methyl-5-[6-(2-methylpyrazol-3-yl)oxy-2-pyridinyl]benzimidazol-2-one.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-3-methyl-5-[6-(2-methylpyrazol-3-yl)oxy-2-pyridinyl]benzimidazol-2-one
PubChem CID66750020
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name1-(2,2-dimethylpropyl)-3-methyl-5-[6-(2-methylpyrazol-3-yl)oxy-2-pyridinyl]benzimidazol-2-one
SMILESCn1nccc1Oc1cccc(-c2ccc3c(c2)n(C)c(=O)n3CC(C)(C)C)n1
InChIInChI=1S/C22H25N5O2/c1-22(2,3)14-27-17-10-9-15(13-18(17)25(4)21(27)28)16-7-6-8-19(24-16)29-20-11-12-23-26(20)5/h6-13H,14H2,1-5H3
InChIKeyMRGZLTYKRWUKBW-UHFFFAOYSA-N
XLogP3.97
TPSA66.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-3-methyl-5-[6-(2-methylpyrazol-3-yl)oxy-2-pyridinyl]benzimidazol-2-one?
The IUPAC name of 1-(2,2-dimethylpropyl)-3-methyl-5-[6-(2-methylpyrazol-3-yl)oxy-2-pyridinyl]benzimidazol-2-one (CID 66750020) is 1-(2,2-dimethylpropyl)-3-methyl-5-[6-(2-methylpyrazol-3-yl)oxy-2-pyridinyl]benzimidazol-2-one.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-3-methyl-5-[6-(2-methylpyrazol-3-yl)oxy-2-pyridinyl]benzimidazol-2-one?
The canonical SMILES for 1-(2,2-dimethylpropyl)-3-methyl-5-[6-(2-methylpyrazol-3-yl)oxy-2-pyridinyl]benzimidazol-2-one is Cn1nccc1Oc1cccc(-c2ccc3c(c2)n(C)c(=O)n3CC(C)(C)C)n1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-3-methyl-5-[6-(2-methylpyrazol-3-yl)oxy-2-pyridinyl]benzimidazol-2-one?
The InChIKey is MRGZLTYKRWUKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-22(2,3)14-27-17-10-9-15(13-18(17)25(4)21(27)28)16-7-6-8-19(24-16)29-20-11-12-23-26(20)5/h6-13H,14H2,1-5H3.
What are the key properties of 1-(2,2-dimethylpropyl)-3-methyl-5-[6-(2-methylpyrazol-3-yl)oxy-2-pyridinyl]benzimidazol-2-one?
1-(2,2-dimethylpropyl)-3-methyl-5-[6-(2-methylpyrazol-3-yl)oxy-2-pyridinyl]benzimidazol-2-one has a molecular weight of 391.48 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-3-methyl-5-[6-(2-methylpyrazol-3-yl)oxy-2-pyridinyl]benzimidazol-2-one is sourced from PubChem (CID 66750020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).