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

C26H28ClN3O3 — CID 134369591

IUPACN-[[3-chloro-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N(Cc2cc(Cl)cc(-c3cn4c(n3)CCC4)c2)CC2CC2)cc1OC
InChIInChI=1S/C26H28ClN3O3/c1-32-23-8-7-19(13-24(23)33-2)26(31)30(14-17-5-6-17)15-18-10-20(12-21(27)11-18)22-16-29-9-3-4-25(29)28-22/h7-8,10-13,16-17H,3-6,9,14-15H2,1-2H3
InChIKeyQEBXTGXTOGGAIQ-UHFFFAOYSA-N
MW465.98 g/mol
LogP5.22
Rot. Bonds8

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

N-[[3-chloro-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3,4-dimethoxybenzamide (PubChem CID 134369591) has the molecular formula C26H28ClN3O3 and a molecular weight of 465.98 g/mol. Its IUPAC name is N-[[3-chloro-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[[3-chloro-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3,4-dimethoxybenzamide
PubChem CID134369591
Molecular FormulaC26H28ClN3O3
Molecular Weight465.98 g/mol
Exact Mass465.18
IUPAC NameN-[[3-chloro-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N(Cc2cc(Cl)cc(-c3cn4c(n3)CCC4)c2)CC2CC2)cc1OC
InChIInChI=1S/C26H28ClN3O3/c1-32-23-8-7-19(13-24(23)33-2)26(31)30(14-17-5-6-17)15-18-10-20(12-21(27)11-18)22-16-29-9-3-4-25(29)28-22/h7-8,10-13,16-17H,3-6,9,14-15H2,1-2H3
InChIKeyQEBXTGXTOGGAIQ-UHFFFAOYSA-N
XLogP5.22
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.98
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3,4-dimethoxybenzamide?
The IUPAC name of N-[[3-chloro-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3,4-dimethoxybenzamide (CID 134369591) is N-[[3-chloro-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[[3-chloro-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3,4-dimethoxybenzamide?
The canonical SMILES for N-[[3-chloro-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3,4-dimethoxybenzamide is COc1ccc(C(=O)N(Cc2cc(Cl)cc(-c3cn4c(n3)CCC4)c2)CC2CC2)cc1OC.
What is the InChIKey of N-[[3-chloro-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3,4-dimethoxybenzamide?
The InChIKey is QEBXTGXTOGGAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN3O3/c1-32-23-8-7-19(13-24(23)33-2)26(31)30(14-17-5-6-17)15-18-10-20(12-21(27)11-18)22-16-29-9-3-4-25(29)28-22/h7-8,10-13,16-17H,3-6,9,14-15H2,1-2H3.
What are the key properties of N-[[3-chloro-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3,4-dimethoxybenzamide?
N-[[3-chloro-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3,4-dimethoxybenzamide has a molecular weight of 465.98 g/mol, XLogP of 5.22, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3,4-dimethoxybenzamide is sourced from PubChem (CID 134369591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).