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

C28H34N4O3 — CID 134369694

IUPACN-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NCc2cc(-c3cn4c(n3)CCC4)ccc2N2CC(C)OC(C)C2)ccc1C
InChIInChI=1S/C28H34N4O3/c1-18-7-8-22(13-26(18)34-4)28(33)29-14-23-12-21(24-17-31-11-5-6-27(31)30-24)9-10-25(23)32-15-19(2)35-20(3)16-32/h7-10,12-13,17,19-20H,5-6,11,14-16H2,1-4H3,(H,29,33)
InChIKeyAGHXACXZADZTME-UHFFFAOYSA-N
MW474.61 g/mol
LogP4.36
Rot. Bonds6

About 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

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 (PubChem CID 134369694) has the molecular formula C28H34N4O3 and a molecular weight of 474.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-3-methoxy-4-methylbenzamide
PubChem CID134369694
Molecular FormulaC28H34N4O3
Molecular Weight474.61 g/mol
Exact Mass474.26
IUPAC NameN-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NCc2cc(-c3cn4c(n3)CCC4)ccc2N2CC(C)OC(C)C2)ccc1C
InChIInChI=1S/C28H34N4O3/c1-18-7-8-22(13-26(18)34-4)28(33)29-14-23-12-21(24-17-31-11-5-6-27(31)30-24)9-10-25(23)32-15-19(2)35-20(3)16-32/h7-10,12-13,17,19-20H,5-6,11,14-16H2,1-4H3,(H,29,33)
InChIKeyAGHXACXZADZTME-UHFFFAOYSA-N
XLogP4.36
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(C(=O)NCc2cc(-c3cn4c(n3)CCC4)ccc2N2CC(C)OC(C)C2)ccc1C.
What is the InChIKey of 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?
The InChIKey is AGHXACXZADZTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O3/c1-18-7-8-22(13-26(18)34-4)28(33)29-14-23-12-21(24-17-31-11-5-6-27(31)30-24)9-10-25(23)32-15-19(2)35-20(3)16-32/h7-10,12-13,17,19-20H,5-6,11,14-16H2,1-4H3,(H,29,33).
What are the key properties of 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?
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 has a molecular weight of 474.61 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 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-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-3-methoxy-4-methylbenzamide is sourced from PubChem (CID 134369694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).