2-[4-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-7-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C21H24N6O3 — CID 75415398

IUPAC2-[4-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-7-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN2CCN(C(=O)c3ccc4nc5n(c4c3)CCC5)CC2)no1
InChIInChI=1S/C21H24N6O3/c1-14-11-18(24-30-14)23-20(28)13-25-7-9-26(10-8-25)21(29)15-4-5-16-17(12-15)27-6-2-3-19(27)22-16/h4-5,11-12H,2-3,6-10,13H2,1H3,(H,23,24,28)
InChIKeyLPTJRIWDIXEPFG-UHFFFAOYSA-N
MW408.46 g/mol
LogP1.68
Rot. Bonds4

About 2-[4-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-7-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[4-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-7-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 75415398) has the molecular formula C21H24N6O3 and a molecular weight of 408.46 g/mol. Its IUPAC name is 2-[4-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-7-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-7-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID75415398
Molecular FormulaC21H24N6O3
Molecular Weight408.46 g/mol
Exact Mass408.19
IUPAC Name2-[4-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-7-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN2CCN(C(=O)c3ccc4nc5n(c4c3)CCC5)CC2)no1
InChIInChI=1S/C21H24N6O3/c1-14-11-18(24-30-14)23-20(28)13-25-7-9-26(10-8-25)21(29)15-4-5-16-17(12-15)27-6-2-3-19(27)22-16/h4-5,11-12H,2-3,6-10,13H2,1H3,(H,23,24,28)
InChIKeyLPTJRIWDIXEPFG-UHFFFAOYSA-N
XLogP1.68
TPSA96.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-benzoylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 9223107
2-[4-(4-butoxybenzoyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 36781578
2-[4-[4-(difluoromethylsulfanyl)benzoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 24620104
2-[4-[4-(benzimidazol-1-yl)benzoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 24572911
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoyl]piperazin-1-yl]acetamide
CID 24608511
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]piperazin-1-yl]acetamide
CID 24608512
N-(2,3-dihydro-1H-inden-5-yl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30663891
2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 25485414
2-[4-(6-amino-5-chloropyridine-3-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 126767599
2-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 33300424
2-[4-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 60541564
2-[4-[5-(2-chlorophenyl)furan-2-carbonyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 24572897

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-7-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[4-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-7-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 75415398) is 2-[4-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-7-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[4-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-7-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[4-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-7-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CN2CCN(C(=O)c3ccc4nc5n(c4c3)CCC5)CC2)no1.
What is the InChIKey of 2-[4-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-7-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is LPTJRIWDIXEPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O3/c1-14-11-18(24-30-14)23-20(28)13-25-7-9-26(10-8-25)21(29)15-4-5-16-17(12-15)27-6-2-3-19(27)22-16/h4-5,11-12H,2-3,6-10,13H2,1H3,(H,23,24,28).
What are the key properties of 2-[4-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-7-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[4-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-7-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 408.46 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-7-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 75415398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).