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

C24H24N4O2 — CID 45031686

IUPACN-cyclopentyl-2-[2-(4-methylphenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]acetamide
SMILESCc1ccc(-c2cc(=O)n3c4ccccc4n(CC(=O)NC4CCCC4)c3n2)cc1
InChIInChI=1S/C24H24N4O2/c1-16-10-12-17(13-11-16)19-14-23(30)28-21-9-5-4-8-20(21)27(24(28)26-19)15-22(29)25-18-6-2-3-7-18/h4-5,8-14,18H,2-3,6-7,15H2,1H3,(H,25,29)
InChIKeySEPTVDBYTHGTEW-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.68
Rot. Bonds4

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

N-cyclopentyl-2-[2-(4-methylphenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]acetamide (PubChem CID 45031686) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-cyclopentyl-2-[2-(4-methylphenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[2-(4-methylphenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]acetamide
PubChem CID45031686
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC NameN-cyclopentyl-2-[2-(4-methylphenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]acetamide
SMILESCc1ccc(-c2cc(=O)n3c4ccccc4n(CC(=O)NC4CCCC4)c3n2)cc1
InChIInChI=1S/C24H24N4O2/c1-16-10-12-17(13-11-16)19-14-23(30)28-21-9-5-4-8-20(21)27(24(28)26-19)15-22(29)25-18-6-2-3-7-18/h4-5,8-14,18H,2-3,6-7,15H2,1H3,(H,25,29)
InChIKeySEPTVDBYTHGTEW-UHFFFAOYSA-N
XLogP3.68
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
9-benzyl-3H-imidazo[1,2-a]benzimidazol-2(9H)-one
CID 752578
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
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 4785048
(5E)-5-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)methylene]-3-(4-methylbenzyl)imidazolidine-2,4-dione
CID 16188454
N-(2-aminophenyl)-4-[[(4-benzyl-5-oxoimidazolidin-2-ylidene)amino]methyl]benzamide
CID 136239318
N-(2-aminophenyl)-4-[[(4-oxo-5-phenylimidazolidin-2-ylidene)amino]methyl]benzamide
CID 136239449
4-[[(1-acetyl-5-benzyl-4-oxoimidazolidin-2-ylidene)amino]methyl]-N-(2-aminophenyl)benzamide
CID 136244062
2-(3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-N-(3-methylphenyl)acetamide
CID 941856
US11479560, Title ww5-52
CID 139535816

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[2-(4-methylphenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]acetamide?
The IUPAC name of N-cyclopentyl-2-[2-(4-methylphenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]acetamide (CID 45031686) is N-cyclopentyl-2-[2-(4-methylphenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[2-(4-methylphenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[2-(4-methylphenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]acetamide is Cc1ccc(-c2cc(=O)n3c4ccccc4n(CC(=O)NC4CCCC4)c3n2)cc1.
What is the InChIKey of N-cyclopentyl-2-[2-(4-methylphenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]acetamide?
The InChIKey is SEPTVDBYTHGTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-16-10-12-17(13-11-16)19-14-23(30)28-21-9-5-4-8-20(21)27(24(28)26-19)15-22(29)25-18-6-2-3-7-18/h4-5,8-14,18H,2-3,6-7,15H2,1H3,(H,25,29).
What are the key properties of N-cyclopentyl-2-[2-(4-methylphenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]acetamide?
N-cyclopentyl-2-[2-(4-methylphenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]acetamide has a molecular weight of 400.48 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[2-(4-methylphenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]acetamide is sourced from PubChem (CID 45031686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).