N-(2-butyl-3H-benzimidazol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide

C21H21N5O2 — CID 47775569

IUPACN-(2-butyl-3H-benzimidazol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCCCCc1nc2ccc(NC(=O)Cn3cnc4ccccc4c3=O)cc2[nH]1
InChIInChI=1S/C21H21N5O2/c1-2-3-8-19-24-17-10-9-14(11-18(17)25-19)23-20(27)12-26-13-22-16-7-5-4-6-15(16)21(26)28/h4-7,9-11,13H,2-3,8,12H2,1H3,(H,23,27)(H,24,25)
InChIKeyHSEDWZXEJULRHL-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.25
Rot. Bonds6

About N-(2-butyl-3H-benzimidazol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide

N-(2-butyl-3H-benzimidazol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 47775569) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-(2-butyl-3H-benzimidazol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-butyl-3H-benzimidazol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID47775569
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC NameN-(2-butyl-3H-benzimidazol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCCCCc1nc2ccc(NC(=O)Cn3cnc4ccccc4c3=O)cc2[nH]1
InChIInChI=1S/C21H21N5O2/c1-2-3-8-19-24-17-10-9-14(11-18(17)25-19)23-20(27)12-26-13-22-16-7-5-4-6-15(16)21(26)28/h4-7,9-11,13H,2-3,8,12H2,1H3,(H,23,27)(H,24,25)
InChIKeyHSEDWZXEJULRHL-UHFFFAOYSA-N
XLogP3.25
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-butyl-3H-benzimidazol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(2-butyl-3H-benzimidazol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide (CID 47775569) is N-(2-butyl-3H-benzimidazol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(2-butyl-3H-benzimidazol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(2-butyl-3H-benzimidazol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide is CCCCc1nc2ccc(NC(=O)Cn3cnc4ccccc4c3=O)cc2[nH]1.
What is the InChIKey of N-(2-butyl-3H-benzimidazol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is HSEDWZXEJULRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-2-3-8-19-24-17-10-9-14(11-18(17)25-19)23-20(27)12-26-13-22-16-7-5-4-6-15(16)21(26)28/h4-7,9-11,13H,2-3,8,12H2,1H3,(H,23,27)(H,24,25).
What are the key properties of N-(2-butyl-3H-benzimidazol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide?
N-(2-butyl-3H-benzimidazol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 375.43 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butyl-3H-benzimidazol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 47775569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).