2-(benzimidazol-1-yl)-N-(6,8-dibromo-2-methyl-4-oxoquinazolin-3-yl)acetamide

C18H13Br2N5O2 — CID 24750273

IUPAC2-(benzimidazol-1-yl)-N-(6,8-dibromo-2-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCc1nc2c(Br)cc(Br)cc2c(=O)n1NC(=O)Cn1cnc2ccccc21
InChIInChI=1S/C18H13Br2N5O2/c1-10-22-17-12(6-11(19)7-13(17)20)18(27)25(10)23-16(26)8-24-9-21-14-4-2-3-5-15(14)24/h2-7,9H,8H2,1H3,(H,23,26)
InChIKeyUFZSXJWQVDMLRM-UHFFFAOYSA-N
MW491.14 g/mol
LogP3.35
Rot. Bonds3

About 2-(benzimidazol-1-yl)-N-(6,8-dibromo-2-methyl-4-oxoquinazolin-3-yl)acetamide

2-(benzimidazol-1-yl)-N-(6,8-dibromo-2-methyl-4-oxoquinazolin-3-yl)acetamide (PubChem CID 24750273) has the molecular formula C18H13Br2N5O2 and a molecular weight of 491.14 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-(6,8-dibromo-2-methyl-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-(6,8-dibromo-2-methyl-4-oxoquinazolin-3-yl)acetamide
PubChem CID24750273
Molecular FormulaC18H13Br2N5O2
Molecular Weight491.14 g/mol
Exact Mass488.94
IUPAC Name2-(benzimidazol-1-yl)-N-(6,8-dibromo-2-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCc1nc2c(Br)cc(Br)cc2c(=O)n1NC(=O)Cn1cnc2ccccc21
InChIInChI=1S/C18H13Br2N5O2/c1-10-22-17-12(6-11(19)7-13(17)20)18(27)25(10)23-16(26)8-24-9-21-14-4-2-3-5-15(14)24/h2-7,9H,8H2,1H3,(H,23,26)
InChIKeyUFZSXJWQVDMLRM-UHFFFAOYSA-N
XLogP3.35
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.14
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-carbamoyl-2-(6,8-dibromo-4-oxoquinazolin-3-yl)acetamide
CID 9136137
N-(2-amino-4-methylphenyl)-2-(benzimidazol-1-yl)acetamide
CID 43376196
N-(4-amino-2-bromophenyl)-2-(benzimidazol-1-yl)acetamide
CID 43376194
2-(benzimidazol-1-yl)-N-propylacetamide
CID 17028466
2-(benzimidazol-1-yl)-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]acetamide
CID 121120794
N-(4,6-dimethylpyrimidin-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 155294773
2-(benzimidazol-1-yl)-N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]acetamide
CID 135816002
2-(benzimidazol-1-yl)-N-[3-(methylamino)phenyl]acetamide
CID 70918719
2-(benzimidazol-1-yl)-N-(3,4-difluorophenyl)acetamide
CID 3578169
ethyl 2-(6,8-dibromo-4-oxoquinazolin-3-yl)acetate
CID 9136125
2-(benzimidazol-1-yl)-1-(5-bromo-2-fluorophenyl)ethanone
CID 105116406
2-(benzimidazol-1-yl)-N-[(Z)-(2-bromophenyl)methylideneamino]acetamide
CID 6264883

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-(6,8-dibromo-2-methyl-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-(6,8-dibromo-2-methyl-4-oxoquinazolin-3-yl)acetamide (CID 24750273) is 2-(benzimidazol-1-yl)-N-(6,8-dibromo-2-methyl-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-(6,8-dibromo-2-methyl-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-(6,8-dibromo-2-methyl-4-oxoquinazolin-3-yl)acetamide is Cc1nc2c(Br)cc(Br)cc2c(=O)n1NC(=O)Cn1cnc2ccccc21.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-(6,8-dibromo-2-methyl-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is UFZSXJWQVDMLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Br2N5O2/c1-10-22-17-12(6-11(19)7-13(17)20)18(27)25(10)23-16(26)8-24-9-21-14-4-2-3-5-15(14)24/h2-7,9H,8H2,1H3,(H,23,26).
What are the key properties of 2-(benzimidazol-1-yl)-N-(6,8-dibromo-2-methyl-4-oxoquinazolin-3-yl)acetamide?
2-(benzimidazol-1-yl)-N-(6,8-dibromo-2-methyl-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 491.14 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-(6,8-dibromo-2-methyl-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 24750273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).