N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-phenoxyphenyl]methyl]-3-methoxybenzamide

C27H25N3O3 — CID 134369657

IUPACN-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-phenoxyphenyl]methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCc2cc(-c3cn4c(n3)CCC4)ccc2Oc2ccccc2)c1
InChIInChI=1S/C27H25N3O3/c1-32-23-10-5-7-20(16-23)27(31)28-17-21-15-19(24-18-30-14-6-11-26(30)29-24)12-13-25(21)33-22-8-3-2-4-9-22/h2-5,7-10,12-13,15-16,18H,6,11,14,17H2,1H3,(H,28,31)
InChIKeyHIHUEYMANAGLLU-UHFFFAOYSA-N
MW439.52 g/mol
LogP5.23
Rot. Bonds7

About N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-phenoxyphenyl]methyl]-3-methoxybenzamide

N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-phenoxyphenyl]methyl]-3-methoxybenzamide (PubChem CID 134369657) has the molecular formula C27H25N3O3 and a molecular weight of 439.52 g/mol. Its IUPAC name is N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-phenoxyphenyl]methyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-phenoxyphenyl]methyl]-3-methoxybenzamide
PubChem CID134369657
Molecular FormulaC27H25N3O3
Molecular Weight439.52 g/mol
Exact Mass439.19
IUPAC NameN-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-phenoxyphenyl]methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCc2cc(-c3cn4c(n3)CCC4)ccc2Oc2ccccc2)c1
InChIInChI=1S/C27H25N3O3/c1-32-23-10-5-7-20(16-23)27(31)28-17-21-15-19(24-18-30-14-6-11-26(30)29-24)12-13-25(21)33-22-8-3-2-4-9-22/h2-5,7-10,12-13,15-16,18H,6,11,14,17H2,1H3,(H,28,31)
InChIKeyHIHUEYMANAGLLU-UHFFFAOYSA-N
XLogP5.23
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.52
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-phenoxyphenyl]methyl]-3-methoxybenzamide 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]-3-methoxy-N-methylbenzamide
CID 134369647
N-[[2-cyclohexyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3-methoxybenzamide
CID 134369638
N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-3-methoxy-4-methylbenzamide
CID 134369694
N-(dicyclopropylmethyl)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxybenzamide
CID 134369624
N-[(2,5-dimethoxyphenyl)methyl]-3-(6-phenylpyrimidin-4-yl)oxybenzamide
CID 53011552
1-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-(3-methoxyphenyl)-1-methylurea
CID 134369577
1-[(4-methoxyphenyl)methyl]-3-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]urea
CID 47075960
N-[1-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]ethyl]-3-methoxy-4-methylbenzamide
CID 134369717
N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-2-(3,4-dichlorophenyl)acetamide;N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3-methoxybenzamide;2-(3,4-dichlorophenyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-phenylphenyl]methyl]acetamide;N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-ethoxy-N-methylbenzamide;N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-pyrrolidin-1-ylphenyl]methyl]-3-methoxybenzamide
CID 157134320
N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]pyridine-2-carboxamide
CID 134369563
3-methoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide
CID 9142461

Frequently Asked Questions

What is the IUPAC name of N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-phenoxyphenyl]methyl]-3-methoxybenzamide?
The IUPAC name of N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-phenoxyphenyl]methyl]-3-methoxybenzamide (CID 134369657) is N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-phenoxyphenyl]methyl]-3-methoxybenzamide.
What is the SMILES notation for N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-phenoxyphenyl]methyl]-3-methoxybenzamide?
The canonical SMILES for N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-phenoxyphenyl]methyl]-3-methoxybenzamide is COc1cccc(C(=O)NCc2cc(-c3cn4c(n3)CCC4)ccc2Oc2ccccc2)c1.
What is the InChIKey of N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-phenoxyphenyl]methyl]-3-methoxybenzamide?
The InChIKey is HIHUEYMANAGLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O3/c1-32-23-10-5-7-20(16-23)27(31)28-17-21-15-19(24-18-30-14-6-11-26(30)29-24)12-13-25(21)33-22-8-3-2-4-9-22/h2-5,7-10,12-13,15-16,18H,6,11,14,17H2,1H3,(H,28,31).
What are the key properties of N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-phenoxyphenyl]methyl]-3-methoxybenzamide?
N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-phenoxyphenyl]methyl]-3-methoxybenzamide has a molecular weight of 439.52 g/mol, XLogP of 5.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-phenoxyphenyl]methyl]-3-methoxybenzamide is sourced from PubChem (CID 134369657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).