5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-pyrrolidin-2-yl-1H-imidazole

C16H19N3O2 — CID 43650666

IUPAC5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-pyrrolidin-2-yl-1H-imidazole
SMILESc1cc2c(cc1-c1cnc(C3CCCN3)[nH]1)OCCCO2
InChIInChI=1S/C16H19N3O2/c1-3-12(17-6-1)16-18-10-13(19-16)11-4-5-14-15(9-11)21-8-2-7-20-14/h4-5,9-10,12,17H,1-3,6-8H2,(H,18,19)
InChIKeyZUNDIAUBPCBTJB-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.66
Rot. Bonds2

About 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-pyrrolidin-2-yl-1H-imidazole

5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-pyrrolidin-2-yl-1H-imidazole (PubChem CID 43650666) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-pyrrolidin-2-yl-1H-imidazole.

Molecular Properties

Compound Name5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-pyrrolidin-2-yl-1H-imidazole
PubChem CID43650666
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-pyrrolidin-2-yl-1H-imidazole
SMILESc1cc2c(cc1-c1cnc(C3CCCN3)[nH]1)OCCCO2
InChIInChI=1S/C16H19N3O2/c1-3-12(17-6-1)16-18-10-13(19-16)11-4-5-14-15(9-11)21-8-2-7-20-14/h4-5,9-10,12,17H,1-3,6-8H2,(H,18,19)
InChIKeyZUNDIAUBPCBTJB-UHFFFAOYSA-N
XLogP2.66
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2-pyrrolidin-2-yl-5-[4-[5-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)-1-benzofuran-2-yl]phenyl]-1H-imidazole
CID 77449174
2-[(2S)-pyrrolidin-2-yl]-5-[4-[2-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]ethyl]phenyl]-1H-imidazole
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CID 118220423
[2-[2-(hydroxymethyl)-4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]-5-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]methanol
CID 91336043
2-pyrrolidin-2-yl-5-[9,9,10,10-tetrafluoro-7-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenanthren-2-yl]-1H-imidazole
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4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)benzonitrile
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6-methyl-3,9-bis(2-pyrrolidin-2-yl-1H-imidazol-5-yl)-5,7-dihydrobenzo[d][2]benzazepine
CID 66620578
2-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-5-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]pyridine
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2-[5-(4-bromophenyl)-1H-imidazol-2-yl]piperidine
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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-pyrrolidin-2-yl-1H-imidazole?
The IUPAC name of 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-pyrrolidin-2-yl-1H-imidazole (CID 43650666) is 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-pyrrolidin-2-yl-1H-imidazole.
What is the SMILES notation for 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-pyrrolidin-2-yl-1H-imidazole?
The canonical SMILES for 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-pyrrolidin-2-yl-1H-imidazole is c1cc2c(cc1-c1cnc(C3CCCN3)[nH]1)OCCCO2.
What is the InChIKey of 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-pyrrolidin-2-yl-1H-imidazole?
The InChIKey is ZUNDIAUBPCBTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-3-12(17-6-1)16-18-10-13(19-16)11-4-5-14-15(9-11)21-8-2-7-20-14/h4-5,9-10,12,17H,1-3,6-8H2,(H,18,19).
What are the key properties of 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-pyrrolidin-2-yl-1H-imidazole?
5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-pyrrolidin-2-yl-1H-imidazole has a molecular weight of 285.35 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-pyrrolidin-2-yl-1H-imidazole is sourced from PubChem (CID 43650666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).