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

C26H27Cl2N3O2 — CID 153380021

IUPACN-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2-(3,4-dichlorophenyl)-N-methylacetamide
SMILESCN(Cc1cc(-c2cn3c(n2)CCC3)ccc1OC1CCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C26H27Cl2N3O2/c1-30(26(32)13-17-7-9-21(27)22(28)12-17)15-19-14-18(8-10-24(19)33-20-4-2-5-20)23-16-31-11-3-6-25(31)29-23/h7-10,12,14,16,20H,2-6,11,13,15H2,1H3
InChIKeyUAJBYTKZCIHDTO-UHFFFAOYSA-N
MW484.43 g/mol
LogP5.94
Rot. Bonds7

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

N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2-(3,4-dichlorophenyl)-N-methylacetamide (PubChem CID 153380021) has the molecular formula C26H27Cl2N3O2 and a molecular weight of 484.43 g/mol. Its IUPAC name is N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2-(3,4-dichlorophenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2-(3,4-dichlorophenyl)-N-methylacetamide
PubChem CID153380021
Molecular FormulaC26H27Cl2N3O2
Molecular Weight484.43 g/mol
Exact Mass483.15
IUPAC NameN-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2-(3,4-dichlorophenyl)-N-methylacetamide
SMILESCN(Cc1cc(-c2cn3c(n2)CCC3)ccc1OC1CCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C26H27Cl2N3O2/c1-30(26(32)13-17-7-9-21(27)22(28)12-17)15-19-14-18(8-10-24(19)33-20-4-2-5-20)23-16-31-11-3-6-25(31)29-23/h7-10,12,14,16,20H,2-6,11,13,15H2,1H3
InChIKeyUAJBYTKZCIHDTO-UHFFFAOYSA-N
XLogP5.94
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.43
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-Dichlorobenzyl)-3-(4-methoxyphenyl)-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
CID 1409639
N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3-methoxy-4-methylbenzamide
CID 134364156
N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxybenzamide
CID 134364178
N-(cyclopropylmethyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-ethoxyphenyl]methyl]-3-methoxybenzamide
CID 134369629
N-(cyclopropylmethyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-propan-2-yloxyphenyl]methyl]-3-methoxybenzamide
CID 134369637
2-(3,4-dichlorophenyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-propan-2-yloxyphenyl]methyl]acetamide
CID 134369648
N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3-methoxybenzamide
CID 134369650
N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-2-(3,4-dichlorophenyl)acetamide
CID 134369652
N-(5-(6,7-Dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-isopropoxybenzyl)-3-methoxybenzamide
CID 134369653
N-(cyclopropylmethyl)-2-(3,4-dichlorophenyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-propan-2-yloxyphenyl]methyl]acetamide
CID 134369665
N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2-(3,4-dichlorophenyl)acetamide
CID 134369676
N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-4-methylbenzamide
CID 134369708

Frequently Asked Questions

What is the IUPAC name of N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2-(3,4-dichlorophenyl)-N-methylacetamide?
The IUPAC name of N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2-(3,4-dichlorophenyl)-N-methylacetamide (CID 153380021) is N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2-(3,4-dichlorophenyl)-N-methylacetamide.
What is the SMILES notation for N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2-(3,4-dichlorophenyl)-N-methylacetamide?
The canonical SMILES for N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2-(3,4-dichlorophenyl)-N-methylacetamide is CN(Cc1cc(-c2cn3c(n2)CCC3)ccc1OC1CCC1)C(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2-(3,4-dichlorophenyl)-N-methylacetamide?
The InChIKey is UAJBYTKZCIHDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27Cl2N3O2/c1-30(26(32)13-17-7-9-21(27)22(28)12-17)15-19-14-18(8-10-24(19)33-20-4-2-5-20)23-16-31-11-3-6-25(31)29-23/h7-10,12,14,16,20H,2-6,11,13,15H2,1H3.
What are the key properties of N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2-(3,4-dichlorophenyl)-N-methylacetamide?
N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2-(3,4-dichlorophenyl)-N-methylacetamide has a molecular weight of 484.43 g/mol, XLogP of 5.94, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2-(3,4-dichlorophenyl)-N-methylacetamide is sourced from PubChem (CID 153380021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).