2-(1-methyl-2,4-dioxoquinazolin-3-yl)-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide

C22H23N5O3 — CID 46969733

IUPAC2-(1-methyl-2,4-dioxoquinazolin-3-yl)-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide
SMILESCC(C)c1nc2cc(NC(=O)Cn3c(=O)c4ccccc4n(C)c3=O)ccc2n1C
InChIInChI=1S/C22H23N5O3/c1-13(2)20-24-16-11-14(9-10-18(16)25(20)3)23-19(28)12-27-21(29)15-7-5-6-8-17(15)26(4)22(27)30/h5-11,13H,12H2,1-4H3,(H,23,28)
InChIKeyMWMRFFNHORAUJS-UHFFFAOYSA-N
MW405.46 g/mol
LogP2.35
Rot. Bonds4

About 2-(1-methyl-2,4-dioxoquinazolin-3-yl)-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide

2-(1-methyl-2,4-dioxoquinazolin-3-yl)-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide (PubChem CID 46969733) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is 2-(1-methyl-2,4-dioxoquinazolin-3-yl)-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(1-methyl-2,4-dioxoquinazolin-3-yl)-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide
PubChem CID46969733
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC Name2-(1-methyl-2,4-dioxoquinazolin-3-yl)-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide
SMILESCC(C)c1nc2cc(NC(=O)Cn3c(=O)c4ccccc4n(C)c3=O)ccc2n1C
InChIInChI=1S/C22H23N5O3/c1-13(2)20-24-16-11-14(9-10-18(16)25(20)3)23-19(28)12-27-21(29)15-7-5-6-8-17(15)26(4)22(27)30/h5-11,13H,12H2,1-4H3,(H,23,28)
InChIKeyMWMRFFNHORAUJS-UHFFFAOYSA-N
XLogP2.35
TPSA90.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide
CID 4084799
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide
CID 3432115
N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)pyridine-2-carboxamide
CID 110793268
2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide
CID 91639594
N-(2-methyl-1,3-benzoxazol-5-yl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 17472904
N-(4-methoxyphenyl)-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502403
N-phenyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 17028613
1-methyl-3-(2-oxopropyl)quinazoline-2,4-dione
CID 117262066
2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide
CID 71754894
N-(4-fluorophenyl)-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502404
N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-4-(tetrazol-1-yl)butanamide
CID 125431718
2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide
CID 71701696

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2,4-dioxoquinazolin-3-yl)-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide?
The IUPAC name of 2-(1-methyl-2,4-dioxoquinazolin-3-yl)-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide (CID 46969733) is 2-(1-methyl-2,4-dioxoquinazolin-3-yl)-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide.
What is the SMILES notation for 2-(1-methyl-2,4-dioxoquinazolin-3-yl)-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide?
The canonical SMILES for 2-(1-methyl-2,4-dioxoquinazolin-3-yl)-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide is CC(C)c1nc2cc(NC(=O)Cn3c(=O)c4ccccc4n(C)c3=O)ccc2n1C.
What is the InChIKey of 2-(1-methyl-2,4-dioxoquinazolin-3-yl)-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide?
The InChIKey is MWMRFFNHORAUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-13(2)20-24-16-11-14(9-10-18(16)25(20)3)23-19(28)12-27-21(29)15-7-5-6-8-17(15)26(4)22(27)30/h5-11,13H,12H2,1-4H3,(H,23,28).
What are the key properties of 2-(1-methyl-2,4-dioxoquinazolin-3-yl)-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide?
2-(1-methyl-2,4-dioxoquinazolin-3-yl)-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide has a molecular weight of 405.46 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2,4-dioxoquinazolin-3-yl)-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide is sourced from PubChem (CID 46969733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).