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

C23H21FN4O2 — CID 53035348

IUPACN-cyclopentyl-2-[2-(4-fluorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]acetamide
SMILESO=C(Cn1c2ccccc2n2c(=O)cc(-c3ccc(F)cc3)nc12)NC1CCCC1
InChIInChI=1S/C23H21FN4O2/c24-16-11-9-15(10-12-16)18-13-22(30)28-20-8-4-3-7-19(20)27(23(28)26-18)14-21(29)25-17-5-1-2-6-17/h3-4,7-13,17H,1-2,5-6,14H2,(H,25,29)
InChIKeyZZLCFZIPXRCYHV-UHFFFAOYSA-N
MW404.45 g/mol
LogP3.51
Rot. Bonds4

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

N-cyclopentyl-2-[2-(4-fluorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]acetamide (PubChem CID 53035348) has the molecular formula C23H21FN4O2 and a molecular weight of 404.45 g/mol. Its IUPAC name is N-cyclopentyl-2-[2-(4-fluorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[2-(4-fluorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]acetamide
PubChem CID53035348
Molecular FormulaC23H21FN4O2
Molecular Weight404.45 g/mol
Exact Mass404.16
IUPAC NameN-cyclopentyl-2-[2-(4-fluorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]acetamide
SMILESO=C(Cn1c2ccccc2n2c(=O)cc(-c3ccc(F)cc3)nc12)NC1CCCC1
InChIInChI=1S/C23H21FN4O2/c24-16-11-9-15(10-12-16)18-13-22(30)28-20-8-4-3-7-19(20)27(23(28)26-18)14-21(29)25-17-5-1-2-6-17/h3-4,7-13,17H,1-2,5-6,14H2,(H,25,29)
InChIKeyZZLCFZIPXRCYHV-UHFFFAOYSA-N
XLogP3.51
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 53.51
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
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
N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide
CID 10741712
US11479560, Title ww5-52
CID 139535816
US11479560, Title ww5-210
CID 139536060
US11479560, Title ww5-194
CID 139536130
US11479560, Title ww5-98
CID 156272809
US11479560, Title KM-4-237-2
CID 156272817
2-[2-(4-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10(4H)-yl]-N-(2,4-difluorophenyl)acetamide
CID 50821545
N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-10H-pyrimido[1,2-a]benzimidazole-2-carboxamide
CID 54730367
N-[(4-fluorophenyl)methyl]-3-hydroxy-10-methyl-4-oxo-pyrimido[1,2-a]benzimidazole-2-carboxamide
CID 54730368

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[2-(4-fluorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]acetamide?
The IUPAC name of N-cyclopentyl-2-[2-(4-fluorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]acetamide (CID 53035348) is N-cyclopentyl-2-[2-(4-fluorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[2-(4-fluorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[2-(4-fluorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]acetamide is O=C(Cn1c2ccccc2n2c(=O)cc(-c3ccc(F)cc3)nc12)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[2-(4-fluorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]acetamide?
The InChIKey is ZZLCFZIPXRCYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2/c24-16-11-9-15(10-12-16)18-13-22(30)28-20-8-4-3-7-19(20)27(23(28)26-18)14-21(29)25-17-5-1-2-6-17/h3-4,7-13,17H,1-2,5-6,14H2,(H,25,29).
What are the key properties of N-cyclopentyl-2-[2-(4-fluorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]acetamide?
N-cyclopentyl-2-[2-(4-fluorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]acetamide has a molecular weight of 404.45 g/mol, XLogP of 3.51, 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-fluorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]acetamide is sourced from PubChem (CID 53035348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).