2-[2-(4-methylphenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-propan-2-ylacetamide

C22H22N4O2 — CID 45031680

IUPAC2-[2-(4-methylphenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-propan-2-ylacetamide
SMILESCc1ccc(-c2cc(=O)n3c4ccccc4n(CC(=O)NC(C)C)c3n2)cc1
InChIInChI=1S/C22H22N4O2/c1-14(2)23-20(27)13-25-18-6-4-5-7-19(18)26-21(28)12-17(24-22(25)26)16-10-8-15(3)9-11-16/h4-12,14H,13H2,1-3H3,(H,23,27)
InChIKeyHFSNRZMOLNSMHS-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.15
Rot. Bonds4

About 2-[2-(4-methylphenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-propan-2-ylacetamide

2-[2-(4-methylphenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-propan-2-ylacetamide (PubChem CID 45031680) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-[2-(4-methylphenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(4-methylphenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-propan-2-ylacetamide
PubChem CID45031680
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name2-[2-(4-methylphenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-propan-2-ylacetamide
SMILESCc1ccc(-c2cc(=O)n3c4ccccc4n(CC(=O)NC(C)C)c3n2)cc1
InChIInChI=1S/C22H22N4O2/c1-14(2)23-20(27)13-25-18-6-4-5-7-19(18)26-21(28)12-17(24-22(25)26)16-10-8-15(3)9-11-16/h4-12,14H,13H2,1-3H3,(H,23,27)
InChIKeyHFSNRZMOLNSMHS-UHFFFAOYSA-N
XLogP3.15
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-{[4-(6-methyl-5-oxo-3-phenyl-4,5-dihydropyrazin-2-yl)phenyl]methyl}piperidin-4-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 10289038
4-Methyl-N-(2-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide
CID 25105701
1-(1-{[4-(5-methyl-6-oxo-3-phenyl-1,6-dihydropyrazin-2-yl)phenyl]methyl}piperidin-4-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 10217663
1-(1-{[4-(5-oxo-3-phenyl-4,5-dihydropyrazin-2-yl)phenyl]methyl}piperidin-4-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 10152003
1-(1-{[4-(6-oxo-3-phenyl-1,6-dihydropyrazin-2-yl)phenyl]methyl}piperidin-4-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 10174144
N-benzyl-2-[3-[2-(benzylamino)-2-oxoethyl]-2-iminobenzimidazol-1-yl]acetamide
CID 53376045
2-(3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-N-(2-methylphenyl)acetamide
CID 664058
N-(2-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)-3-phenylpropiolamide
CID 44573597
2-(2,3-dihydro-1H-indol-1-yl)-N-(4-methylphenyl)-6-oxo-3,4,5,6-tetrahydropyrimidine-4-carboxamide
CID 665925
8-methyl-4-(4-methylphenyl)-2-[(4-methylphenyl)amino]-1,4-dihydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one
CID 667372
N-benzyl-2-[3-[2-(benzylamino)-2-oxoethyl]-2-oxobenzimidazol-1-yl]acetamide
CID 1109829
2-(10-Ethyl-3,4-dioxo-3,4-dihydro-10H-benzo[4,5]imidazo[2,1-c][1,2,4]triazin-2-yl)-N-(4-isopropyl-phenyl)-acetamide
CID 1435114

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylphenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-(4-methylphenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-propan-2-ylacetamide (CID 45031680) is 2-[2-(4-methylphenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-(4-methylphenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-(4-methylphenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-propan-2-ylacetamide is Cc1ccc(-c2cc(=O)n3c4ccccc4n(CC(=O)NC(C)C)c3n2)cc1.
What is the InChIKey of 2-[2-(4-methylphenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-propan-2-ylacetamide?
The InChIKey is HFSNRZMOLNSMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-14(2)23-20(27)13-25-18-6-4-5-7-19(18)26-21(28)12-17(24-22(25)26)16-10-8-15(3)9-11-16/h4-12,14H,13H2,1-3H3,(H,23,27).
What are the key properties of 2-[2-(4-methylphenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-propan-2-ylacetamide?
2-[2-(4-methylphenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-propan-2-ylacetamide has a molecular weight of 374.44 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylphenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 45031680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).