N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C22H21N3O3 — CID 134369599

IUPACN-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESO=C(NCc1cccc(-c2cn3c(n2)CCC3)c1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C22H21N3O3/c26-22(17-6-7-19-20(12-17)28-10-9-27-19)23-13-15-3-1-4-16(11-15)18-14-25-8-2-5-21(25)24-18/h1,3-4,6-7,11-12,14H,2,5,8-10,13H2,(H,23,26)
InChIKeyUDUWFPBSJHKPBB-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.20
Rot. Bonds4

About N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 134369599) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID134369599
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC NameN-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESO=C(NCc1cccc(-c2cn3c(n2)CCC3)c1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C22H21N3O3/c26-22(17-6-7-19-20(12-17)28-10-9-27-19)23-13-15-3-1-4-16(11-15)18-14-25-8-2-5-21(25)24-18/h1,3-4,6-7,11-12,14H,2,5,8-10,13H2,(H,23,26)
InChIKeyUDUWFPBSJHKPBB-UHFFFAOYSA-N
XLogP3.20
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide with MolForge

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Related Compounds

N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-4-methoxybenzamide
CID 134369561
N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2-(3,4-dimethylphenyl)acetamide
CID 134369574
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]butanamide
CID 60567580
N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 718621
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-(1-methylpyrazol-4-yl)benzamide
CID 170510996
[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methanamine
CID 84734776
N-(1,3-benzodioxol-5-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 53167909
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 27761306
N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-N-methylbenzamide
CID 134369647
N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 71801661
N-[(3-bromophenyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 60739897
N-(1H-pyrazol-4-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 60735915

Frequently Asked Questions

What is the IUPAC name of N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 134369599) is N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is O=C(NCc1cccc(-c2cn3c(n2)CCC3)c1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is UDUWFPBSJHKPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c26-22(17-6-7-19-20(12-17)28-10-9-27-19)23-13-15-3-1-4-16(11-15)18-14-25-8-2-5-21(25)24-18/h1,3-4,6-7,11-12,14H,2,5,8-10,13H2,(H,23,26).
What are the key properties of N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 134369599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).