6-methyl-3-[1-(6-methylquinazolin-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one

C22H23N5O — CID 139785898

IUPAC6-methyl-3-[1-(6-methylquinazolin-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCc1ccc2c(c1)[nH]c(=O)n2C1CCN(c2ncnc3ccc(C)cc23)CC1
InChIInChI=1S/C22H23N5O/c1-14-3-5-18-17(11-14)21(24-13-23-18)26-9-7-16(8-10-26)27-20-6-4-15(2)12-19(20)25-22(27)28/h3-6,11-13,16H,7-10H2,1-2H3,(H,25,28)
InChIKeyZRXYOZOVCMAHIO-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.73
Rot. Bonds2

About 6-methyl-3-[1-(6-methylquinazolin-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one

6-methyl-3-[1-(6-methylquinazolin-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 139785898) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 6-methyl-3-[1-(6-methylquinazolin-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-methyl-3-[1-(6-methylquinazolin-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID139785898
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name6-methyl-3-[1-(6-methylquinazolin-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCc1ccc2c(c1)[nH]c(=O)n2C1CCN(c2ncnc3ccc(C)cc23)CC1
InChIInChI=1S/C22H23N5O/c1-14-3-5-18-17(11-14)21(24-13-23-18)26-9-7-16(8-10-26)27-20-6-4-15(2)12-19(20)25-22(27)28/h3-6,11-13,16H,7-10H2,1-2H3,(H,25,28)
InChIKeyZRXYOZOVCMAHIO-UHFFFAOYSA-N
XLogP3.73
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[1-(6-methylquinazolin-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 6-methyl-3-[1-(6-methylquinazolin-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one (CID 139785898) is 6-methyl-3-[1-(6-methylquinazolin-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 6-methyl-3-[1-(6-methylquinazolin-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 6-methyl-3-[1-(6-methylquinazolin-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one is Cc1ccc2c(c1)[nH]c(=O)n2C1CCN(c2ncnc3ccc(C)cc23)CC1.
What is the InChIKey of 6-methyl-3-[1-(6-methylquinazolin-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is ZRXYOZOVCMAHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-14-3-5-18-17(11-14)21(24-13-23-18)26-9-7-16(8-10-26)27-20-6-4-15(2)12-19(20)25-22(27)28/h3-6,11-13,16H,7-10H2,1-2H3,(H,25,28).
What are the key properties of 6-methyl-3-[1-(6-methylquinazolin-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one?
6-methyl-3-[1-(6-methylquinazolin-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 373.46 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[1-(6-methylquinazolin-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 139785898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).