4-[[3-[[[2-(3,5-dichlorophenyl)acetyl]-methylamino]methyl]-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methoxy]-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-N-(1-phenylethyl)benzamide

C52H50Cl2N6O4 — CID 134370116

IUPAC4-[[3-[[[2-(3,5-dichlorophenyl)acetyl]-methylamino]methyl]-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methoxy]-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-N-(1-phenylethyl)benzamide
SMILESCOc1cc(C(=O)N(Cc2cccc(-c3cn4c(n3)CCC4)c2)C(C)c2ccccc2)ccc1OCc1cc(CN(C)C(=O)Cc2cc(Cl)cc(Cl)c2)cc(-c2cn3c(n2)CCC3)c1
InChIInChI=1S/C52H50Cl2N6O4/c1-34(39-11-5-4-6-12-39)60(30-35-10-7-13-40(21-35)45-31-58-18-8-14-49(58)55-45)52(62)41-16-17-47(48(27-41)63-3)64-33-38-20-37(22-42(23-38)46-32-59-19-9-15-50(59)56-46)29-57(2)51(61)26-36-24-43(53)28-44(54)25-36/h4-7,10-13,16-17,20-25,27-28,31-32,34H,8-9,14-15,18-19,26,29-30,33H2,1-3H3
InChIKeyLRLLSJKNUCSOFX-UHFFFAOYSA-N
MW893.92 g/mol
LogP10.81
Rot. Bonds15

About 4-[[3-[[[2-(3,5-dichlorophenyl)acetyl]-methylamino]methyl]-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methoxy]-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-N-(1-phenylethyl)benzamide

4-[[3-[[[2-(3,5-dichlorophenyl)acetyl]-methylamino]methyl]-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methoxy]-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-N-(1-phenylethyl)benzamide (PubChem CID 134370116) has the molecular formula C52H50Cl2N6O4 and a molecular weight of 893.92 g/mol. Its IUPAC name is 4-[[3-[[[2-(3,5-dichlorophenyl)acetyl]-methylamino]methyl]-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methoxy]-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name4-[[3-[[[2-(3,5-dichlorophenyl)acetyl]-methylamino]methyl]-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methoxy]-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-N-(1-phenylethyl)benzamide
PubChem CID134370116
Molecular FormulaC52H50Cl2N6O4
Molecular Weight893.92 g/mol
Exact Mass892.33
IUPAC Name4-[[3-[[[2-(3,5-dichlorophenyl)acetyl]-methylamino]methyl]-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methoxy]-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-N-(1-phenylethyl)benzamide
SMILESCOc1cc(C(=O)N(Cc2cccc(-c3cn4c(n3)CCC4)c2)C(C)c2ccccc2)ccc1OCc1cc(CN(C)C(=O)Cc2cc(Cl)cc(Cl)c2)cc(-c2cn3c(n2)CCC3)c1
InChIInChI=1S/C52H50Cl2N6O4/c1-34(39-11-5-4-6-12-39)60(30-35-10-7-13-40(21-35)45-31-58-18-8-14-49(58)55-45)52(62)41-16-17-47(48(27-41)63-3)64-33-38-20-37(22-42(23-38)46-32-59-19-9-15-50(59)56-46)29-57(2)51(61)26-36-24-43(53)28-44(54)25-36/h4-7,10-13,16-17,20-25,27-28,31-32,34H,8-9,14-15,18-19,26,29-30,33H2,1-3H3
InChIKeyLRLLSJKNUCSOFX-UHFFFAOYSA-N
XLogP10.81
TPSA94.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500893.92
LogP ≤ 510.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[[3-[[[2-(3,5-dichlorophenyl)acetyl]-methylamino]methyl]-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methoxy]-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-N-(1-phenylethyl)benzamide with MolForge

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Related Compounds

N-[[3-chloro-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3,4-dimethoxybenzamide
CID 134369591
N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-N-methylbenzamide
CID 134369647
N-(dicyclopropylmethyl)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxybenzamide
CID 134369624
1-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-(3-methoxyphenyl)-1-methylurea
CID 134369577
4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-(1-phenylethyl)benzamide
CID 42695710
(2S)-N-(cyclopropylmethyl)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2-phenylpropanamide
CID 134369604
N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-4-methoxybenzamide
CID 134369561
N-[[4-chloro-3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3,4-dimethoxybenzamide
CID 134369592
N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2-(3,4-dimethylphenyl)acetamide
CID 134369574
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methyl-2-thiophen-3-ylacetamide
CID 9468010
3-[[(3,4-dimethoxybenzoyl)-methylamino]methyl]benzoic acid
CID 59190884
3-methoxy-N-methyl-N-[1-(3-nitrophenyl)ethyl]-4-phenylmethoxybenzamide
CID 55408434

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[[[2-(3,5-dichlorophenyl)acetyl]-methylamino]methyl]-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methoxy]-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-N-(1-phenylethyl)benzamide?
The IUPAC name of 4-[[3-[[[2-(3,5-dichlorophenyl)acetyl]-methylamino]methyl]-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methoxy]-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-N-(1-phenylethyl)benzamide (CID 134370116) is 4-[[3-[[[2-(3,5-dichlorophenyl)acetyl]-methylamino]methyl]-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methoxy]-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 4-[[3-[[[2-(3,5-dichlorophenyl)acetyl]-methylamino]methyl]-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methoxy]-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-N-(1-phenylethyl)benzamide?
The canonical SMILES for 4-[[3-[[[2-(3,5-dichlorophenyl)acetyl]-methylamino]methyl]-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methoxy]-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-N-(1-phenylethyl)benzamide is COc1cc(C(=O)N(Cc2cccc(-c3cn4c(n3)CCC4)c2)C(C)c2ccccc2)ccc1OCc1cc(CN(C)C(=O)Cc2cc(Cl)cc(Cl)c2)cc(-c2cn3c(n2)CCC3)c1.
What is the InChIKey of 4-[[3-[[[2-(3,5-dichlorophenyl)acetyl]-methylamino]methyl]-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methoxy]-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-N-(1-phenylethyl)benzamide?
The InChIKey is LRLLSJKNUCSOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H50Cl2N6O4/c1-34(39-11-5-4-6-12-39)60(30-35-10-7-13-40(21-35)45-31-58-18-8-14-49(58)55-45)52(62)41-16-17-47(48(27-41)63-3)64-33-38-20-37(22-42(23-38)46-32-59-19-9-15-50(59)56-46)29-57(2)51(61)26-36-24-43(53)28-44(54)25-36/h4-7,10-13,16-17,20-25,27-28,31-32,34H,8-9,14-15,18-19,26,29-30,33H2,1-3H3.
What are the key properties of 4-[[3-[[[2-(3,5-dichlorophenyl)acetyl]-methylamino]methyl]-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methoxy]-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-N-(1-phenylethyl)benzamide?
4-[[3-[[[2-(3,5-dichlorophenyl)acetyl]-methylamino]methyl]-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methoxy]-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-N-(1-phenylethyl)benzamide has a molecular weight of 893.92 g/mol, XLogP of 10.81, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[[[2-(3,5-dichlorophenyl)acetyl]-methylamino]methyl]-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methoxy]-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 134370116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).