[4-(4-chlorophenyl)piperazin-1-yl]-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)methanone

C21H21ClN4O2 — CID 53299123

IUPAC[4-(4-chlorophenyl)piperazin-1-yl]-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)methanone
SMILESO=C(c1ccc2c(c1)nc1n2CCOC1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H21ClN4O2/c22-16-2-4-17(5-3-16)24-7-9-25(10-8-24)21(27)15-1-6-19-18(13-15)23-20-14-28-12-11-26(19)20/h1-6,13H,7-12,14H2
InChIKeyRRSQHERBNYBXDH-UHFFFAOYSA-N
MW396.88 g/mol
LogP3.18
Rot. Bonds2

About [4-(4-chlorophenyl)piperazin-1-yl]-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)methanone

[4-(4-chlorophenyl)piperazin-1-yl]-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)methanone (PubChem CID 53299123) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is [4-(4-chlorophenyl)piperazin-1-yl]-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)methanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)piperazin-1-yl]-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)methanone
PubChem CID53299123
Molecular FormulaC21H21ClN4O2
Molecular Weight396.88 g/mol
Exact Mass396.14
IUPAC Name[4-(4-chlorophenyl)piperazin-1-yl]-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)methanone
SMILESO=C(c1ccc2c(c1)nc1n2CCOC1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H21ClN4O2/c22-16-2-4-17(5-3-16)24-7-9-25(10-8-24)21(27)15-1-6-19-18(13-15)23-20-14-28-12-11-26(19)20/h1-6,13H,7-12,14H2
InChIKeyRRSQHERBNYBXDH-UHFFFAOYSA-N
XLogP3.18
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(cyclobutadienyl)-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]benzimidazol-8-yl]-morpholin-4-ylmethanone
CID 66680844
ethyl 1-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carbonyl)piperidine-3-carboxylate
CID 46355194
(4-chlorophenyl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 46267909
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone
CID 21367728
[4-(4-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 873857
[4-(4-chlorophenyl)piperazin-1-yl]-(4-ethyl-3-morpholin-4-ylsulfonylphenyl)methanone
CID 55970681
(4-chlorophenyl)-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]methanone
CID 110363916
[2-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
CID 53161116
N-[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]acetamide
CID 2994878
[4-(3-chlorophenyl)piperazin-1-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
CID 46651328
[4-(4-chlorophenyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 2169854
2-(4-chlorophenyl)-5-(morpholine-4-carbonyl)isoindole-1,3-dione
CID 2100384

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)piperazin-1-yl]-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)methanone?
The IUPAC name of [4-(4-chlorophenyl)piperazin-1-yl]-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)methanone (CID 53299123) is [4-(4-chlorophenyl)piperazin-1-yl]-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)methanone.
What is the SMILES notation for [4-(4-chlorophenyl)piperazin-1-yl]-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)methanone?
The canonical SMILES for [4-(4-chlorophenyl)piperazin-1-yl]-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)methanone is O=C(c1ccc2c(c1)nc1n2CCOC1)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-(4-chlorophenyl)piperazin-1-yl]-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)methanone?
The InChIKey is RRSQHERBNYBXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c22-16-2-4-17(5-3-16)24-7-9-25(10-8-24)21(27)15-1-6-19-18(13-15)23-20-14-28-12-11-26(19)20/h1-6,13H,7-12,14H2.
What are the key properties of [4-(4-chlorophenyl)piperazin-1-yl]-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)methanone?
[4-(4-chlorophenyl)piperazin-1-yl]-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)methanone has a molecular weight of 396.88 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)piperazin-1-yl]-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)methanone is sourced from PubChem (CID 53299123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).