N-(3,4-dimethylphenyl)-2-(4-oxo-2-phenylpyrimido[1,2-a]benzimidazol-10-yl)acetamide

C26H22N4O2 — CID 45031629

IUPACN-(3,4-dimethylphenyl)-2-(4-oxo-2-phenylpyrimido[1,2-a]benzimidazol-10-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2c3ccccc3n3c(=O)cc(-c4ccccc4)nc23)cc1C
InChIInChI=1S/C26H22N4O2/c1-17-12-13-20(14-18(17)2)27-24(31)16-29-22-10-6-7-11-23(22)30-25(32)15-21(28-26(29)30)19-8-4-3-5-9-19/h3-15H,16H2,1-2H3,(H,27,31)
InChIKeyNLQQYMQOOPPJAX-UHFFFAOYSA-N
MW422.49 g/mol
LogP4.57
Rot. Bonds4

About N-(3,4-dimethylphenyl)-2-(4-oxo-2-phenylpyrimido[1,2-a]benzimidazol-10-yl)acetamide

N-(3,4-dimethylphenyl)-2-(4-oxo-2-phenylpyrimido[1,2-a]benzimidazol-10-yl)acetamide (PubChem CID 45031629) has the molecular formula C26H22N4O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-(4-oxo-2-phenylpyrimido[1,2-a]benzimidazol-10-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-(4-oxo-2-phenylpyrimido[1,2-a]benzimidazol-10-yl)acetamide
PubChem CID45031629
Molecular FormulaC26H22N4O2
Molecular Weight422.49 g/mol
Exact Mass422.17
IUPAC NameN-(3,4-dimethylphenyl)-2-(4-oxo-2-phenylpyrimido[1,2-a]benzimidazol-10-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2c3ccccc3n3c(=O)cc(-c4ccccc4)nc23)cc1C
InChIInChI=1S/C26H22N4O2/c1-17-12-13-20(14-18(17)2)27-24(31)16-29-22-10-6-7-11-23(22)30-25(32)15-21(28-26(29)30)19-8-4-3-5-9-19/h3-15H,16H2,1-2H3,(H,27,31)
InChIKeyNLQQYMQOOPPJAX-UHFFFAOYSA-N
XLogP4.57
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-(4-oxo-2-phenylpyrimido[1,2-a]benzimidazol-10-yl)acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-(4-oxo-2-phenylpyrimido[1,2-a]benzimidazol-10-yl)acetamide (CID 45031629) is N-(3,4-dimethylphenyl)-2-(4-oxo-2-phenylpyrimido[1,2-a]benzimidazol-10-yl)acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-(4-oxo-2-phenylpyrimido[1,2-a]benzimidazol-10-yl)acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-(4-oxo-2-phenylpyrimido[1,2-a]benzimidazol-10-yl)acetamide is Cc1ccc(NC(=O)Cn2c3ccccc3n3c(=O)cc(-c4ccccc4)nc23)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-(4-oxo-2-phenylpyrimido[1,2-a]benzimidazol-10-yl)acetamide?
The InChIKey is NLQQYMQOOPPJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O2/c1-17-12-13-20(14-18(17)2)27-24(31)16-29-22-10-6-7-11-23(22)30-25(32)15-21(28-26(29)30)19-8-4-3-5-9-19/h3-15H,16H2,1-2H3,(H,27,31).
What are the key properties of N-(3,4-dimethylphenyl)-2-(4-oxo-2-phenylpyrimido[1,2-a]benzimidazol-10-yl)acetamide?
N-(3,4-dimethylphenyl)-2-(4-oxo-2-phenylpyrimido[1,2-a]benzimidazol-10-yl)acetamide has a molecular weight of 422.49 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-(4-oxo-2-phenylpyrimido[1,2-a]benzimidazol-10-yl)acetamide is sourced from PubChem (CID 45031629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).