2-(6-hydroxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(2-methylpropyl)-3H-benzimidazol-5-yl]acetamide

C22H23N5O3 — CID 71701504

IUPAC2-(6-hydroxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(2-methylpropyl)-3H-benzimidazol-5-yl]acetamide
SMILESCc1nc2ccc(O)cc2c(=O)n1CC(=O)Nc1ccc2nc(CC(C)C)[nH]c2c1
InChIInChI=1S/C22H23N5O3/c1-12(2)8-20-25-18-6-4-14(9-19(18)26-20)24-21(29)11-27-13(3)23-17-7-5-15(28)10-16(17)22(27)30/h4-7,9-10,12,28H,8,11H2,1-3H3,(H,24,29)(H,25,26)
InChIKeyFOPIPSVNNMMEJX-UHFFFAOYSA-N
MW405.46 g/mol
LogP3.12
Rot. Bonds5

About 2-(6-hydroxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(2-methylpropyl)-3H-benzimidazol-5-yl]acetamide

2-(6-hydroxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(2-methylpropyl)-3H-benzimidazol-5-yl]acetamide (PubChem CID 71701504) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is 2-(6-hydroxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(2-methylpropyl)-3H-benzimidazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(6-hydroxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(2-methylpropyl)-3H-benzimidazol-5-yl]acetamide
PubChem CID71701504
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC Name2-(6-hydroxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(2-methylpropyl)-3H-benzimidazol-5-yl]acetamide
SMILESCc1nc2ccc(O)cc2c(=O)n1CC(=O)Nc1ccc2nc(CC(C)C)[nH]c2c1
InChIInChI=1S/C22H23N5O3/c1-12(2)8-20-25-18-6-4-14(9-19(18)26-20)24-21(29)11-27-13(3)23-17-7-5-15(28)10-16(17)22(27)30/h4-7,9-10,12,28H,8,11H2,1-3H3,(H,24,29)(H,25,26)
InChIKeyFOPIPSVNNMMEJX-UHFFFAOYSA-N
XLogP3.12
TPSA112.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)-N-(1H-indol-6-yl)acetamide
CID 71708222
(2S)-N-[2-(2-methylpropyl)-3H-benzimidazol-5-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 71829481
2-(6-amino-2-methyl-4-oxoquinazolin-3-yl)-N-(4-fluorophenyl)acetamide
CID 1166520
N-(2-butyl-3H-benzimidazol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 47775569
N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 55575508
N-(2-ethyl-1,3-benzoxazol-5-yl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 51122954
2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[2-(2-methylpropyl)-3H-benzimidazol-5-yl]acetamide
CID 97264562
3-(2,5-dimethylpyrrol-1-yl)-N-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]propanamide
CID 110204597
N-[2-(methoxymethyl)-3H-benzimidazol-5-yl]-2-phenylacetamide
CID 51044165
2-(1,3-dioxoisoindol-2-yl)-N-(2-ethyl-3H-benzimidazol-5-yl)acetamide
CID 110778994
N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 131938928
1-chloro-3-[[2-(2-methylpropyl)-3H-benzimidazol-5-yl]amino]propan-2-ol
CID 168639641

Frequently Asked Questions

What is the IUPAC name of 2-(6-hydroxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(2-methylpropyl)-3H-benzimidazol-5-yl]acetamide?
The IUPAC name of 2-(6-hydroxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(2-methylpropyl)-3H-benzimidazol-5-yl]acetamide (CID 71701504) is 2-(6-hydroxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(2-methylpropyl)-3H-benzimidazol-5-yl]acetamide.
What is the SMILES notation for 2-(6-hydroxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(2-methylpropyl)-3H-benzimidazol-5-yl]acetamide?
The canonical SMILES for 2-(6-hydroxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(2-methylpropyl)-3H-benzimidazol-5-yl]acetamide is Cc1nc2ccc(O)cc2c(=O)n1CC(=O)Nc1ccc2nc(CC(C)C)[nH]c2c1.
What is the InChIKey of 2-(6-hydroxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(2-methylpropyl)-3H-benzimidazol-5-yl]acetamide?
The InChIKey is FOPIPSVNNMMEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-12(2)8-20-25-18-6-4-14(9-19(18)26-20)24-21(29)11-27-13(3)23-17-7-5-15(28)10-16(17)22(27)30/h4-7,9-10,12,28H,8,11H2,1-3H3,(H,24,29)(H,25,26).
What are the key properties of 2-(6-hydroxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(2-methylpropyl)-3H-benzimidazol-5-yl]acetamide?
2-(6-hydroxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(2-methylpropyl)-3H-benzimidazol-5-yl]acetamide has a molecular weight of 405.46 g/mol, XLogP of 3.12, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-hydroxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(2-methylpropyl)-3H-benzimidazol-5-yl]acetamide is sourced from PubChem (CID 71701504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).