1-[4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one

C24H26N4O3 — CID 112844277

IUPAC1-[4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one
SMILESO=C(CCOc1ccccc1)N1CCC(C(=O)N2CCn3c2nc2ccccc23)CC1
InChIInChI=1S/C24H26N4O3/c29-22(12-17-31-19-6-2-1-3-7-19)26-13-10-18(11-14-26)23(30)28-16-15-27-21-9-5-4-8-20(21)25-24(27)28/h1-9,18H,10-17H2
InChIKeyIASRFZOTRDMPPV-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.09
Rot. Bonds5

About 1-[4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one

1-[4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one (PubChem CID 112844277) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 1-[4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one.

Molecular Properties

Compound Name1-[4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one
PubChem CID112844277
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name1-[4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one
SMILESO=C(CCOc1ccccc1)N1CCC(C(=O)N2CCn3c2nc2ccccc23)CC1
InChIInChI=1S/C24H26N4O3/c29-22(12-17-31-19-6-2-1-3-7-19)26-13-10-18(11-14-26)23(30)28-16-15-27-21-9-5-4-8-20(21)25-24(27)28/h1-9,18H,10-17H2
InChIKeyIASRFZOTRDMPPV-UHFFFAOYSA-N
XLogP3.09
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one with MolForge

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Related Compounds

1-[4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)piperidin-1-yl]-2-phenoxyethanone
CID 112820521
N-(1-cyclohexylbenzimidazol-2-yl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55882385
1-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one
CID 113006333
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 110364757
3-phenoxy-1-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 56543111
1-(3-phenoxypropanoyl)piperidine-4-carbothioamide
CID 39400729
1-[4-[2-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 55870785
1-[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]piperidine-2-carboxylic acid
CID 119176074
1-(3-phenoxypropanoyl)piperidine-4-carbonitrile
CID 39359717
N-(4-ethoxyphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55854197
N-(4-acetamidophenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55854580
N-(2-hydroxyethyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 78901451

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one?
The IUPAC name of 1-[4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one (CID 112844277) is 1-[4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one.
What is the SMILES notation for 1-[4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one?
The canonical SMILES for 1-[4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one is O=C(CCOc1ccccc1)N1CCC(C(=O)N2CCn3c2nc2ccccc23)CC1.
What is the InChIKey of 1-[4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one?
The InChIKey is IASRFZOTRDMPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c29-22(12-17-31-19-6-2-1-3-7-19)26-13-10-18(11-14-26)23(30)28-16-15-27-21-9-5-4-8-20(21)25-24(27)28/h1-9,18H,10-17H2.
What are the key properties of 1-[4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one?
1-[4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one has a molecular weight of 418.50 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one is sourced from PubChem (CID 112844277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).