N-(1H-benzimidazol-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanamide

C20H19N5O3 — CID 4912276

IUPACN-(1H-benzimidazol-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanamide
SMILESCC(C)C(C(=O)Nc1nc2ccccc2[nH]1)n1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C20H19N5O3/c1-11(2)16(17(26)24-19-21-14-9-5-6-10-15(14)22-19)25-18(27)12-7-3-4-8-13(12)23-20(25)28/h3-11,16H,1-2H3,(H,23,28)(H2,21,22,24,26)
InChIKeyYMTIZABLTKUTLR-UHFFFAOYSA-N
MW377.40 g/mol
LogP2.40
Rot. Bonds4

About N-(1H-benzimidazol-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanamide

N-(1H-benzimidazol-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanamide (PubChem CID 4912276) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanamide
PubChem CID4912276
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC NameN-(1H-benzimidazol-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanamide
SMILESCC(C)C(C(=O)Nc1nc2ccccc2[nH]1)n1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C20H19N5O3/c1-11(2)16(17(26)24-19-21-14-9-5-6-10-15(14)22-19)25-18(27)12-7-3-4-8-13(12)23-20(25)28/h3-11,16H,1-2H3,(H,23,28)(H2,21,22,24,26)
InChIKeyYMTIZABLTKUTLR-UHFFFAOYSA-N
XLogP2.40
TPSA112.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanoic acid
CID 15860182
2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanoyl]amino]propanoic acid
CID 4836848
methyl 2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanoyl]amino]benzoate
CID 4838492
N-(3-acetylphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanamide
CID 4904308
3-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)-1H-quinazoline-2,4-dione
CID 4899772
(2S)-N-(1H-benzimidazol-2-yl)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide
CID 29132743
N-(5-chloro-2,4-dimethoxyphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanamide
CID 4909904
(2R,3R)-2-[[(2R)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanoyl]amino]-3-methylpentanoic acid
CID 51427974
(2R)-2-acetamido-N-(1H-benzimidazol-2-yl)-3-methylbutanamide
CID 27649319
N-(1H-benzimidazol-2-yl)-2-methylpentanamide
CID 60629405
N-(4-acetamidophenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)propanamide
CID 4910445
(2S)-2-amino-N-(1H-benzimidazol-2-yl)-3-methylpentanamide
CID 63565252

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanamide (CID 4912276) is N-(1H-benzimidazol-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanamide is CC(C)C(C(=O)Nc1nc2ccccc2[nH]1)n1c(=O)[nH]c2ccccc2c1=O.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanamide?
The InChIKey is YMTIZABLTKUTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c1-11(2)16(17(26)24-19-21-14-9-5-6-10-15(14)22-19)25-18(27)12-7-3-4-8-13(12)23-20(25)28/h3-11,16H,1-2H3,(H,23,28)(H2,21,22,24,26).
What are the key properties of N-(1H-benzimidazol-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanamide?
N-(1H-benzimidazol-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanamide has a molecular weight of 377.40 g/mol, XLogP of 2.40, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanamide is sourced from PubChem (CID 4912276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).