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

C24H27N3O3 — CID 134369653

IUPACN-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-propan-2-yloxyphenyl]methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCc2cc(-c3cn4c(n3)CCC4)ccc2OC(C)C)c1
InChIInChI=1S/C24H27N3O3/c1-16(2)30-22-10-9-17(21-15-27-11-5-8-23(27)26-21)12-19(22)14-25-24(28)18-6-4-7-20(13-18)29-3/h4,6-7,9-10,12-13,15-16H,5,8,11,14H2,1-3H3,(H,25,28)
InChIKeyDXZYVORRTZPJAD-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.22
Rot. Bonds7

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

N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-propan-2-yloxyphenyl]methyl]-3-methoxybenzamide (PubChem CID 134369653) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-propan-2-yloxyphenyl]methyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-propan-2-yloxyphenyl]methyl]-3-methoxybenzamide
PubChem CID134369653
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC NameN-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-propan-2-yloxyphenyl]methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCc2cc(-c3cn4c(n3)CCC4)ccc2OC(C)C)c1
InChIInChI=1S/C24H27N3O3/c1-16(2)30-22-10-9-17(21-15-27-11-5-8-23(27)26-21)12-19(22)14-25-24(28)18-6-4-7-20(13-18)29-3/h4,6-7,9-10,12-13,15-16H,5,8,11,14H2,1-3H3,(H,25,28)
InChIKeyDXZYVORRTZPJAD-UHFFFAOYSA-N
XLogP4.22
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-propan-2-yloxyphenyl]methyl]-3-methoxybenzamide 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-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-propan-2-yloxyphenyl]methyl]-3-methoxybenzamide?
The IUPAC name of N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-propan-2-yloxyphenyl]methyl]-3-methoxybenzamide (CID 134369653) is N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-propan-2-yloxyphenyl]methyl]-3-methoxybenzamide.
What is the SMILES notation for N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-propan-2-yloxyphenyl]methyl]-3-methoxybenzamide?
The canonical SMILES for N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-propan-2-yloxyphenyl]methyl]-3-methoxybenzamide is COc1cccc(C(=O)NCc2cc(-c3cn4c(n3)CCC4)ccc2OC(C)C)c1.
What is the InChIKey of N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-propan-2-yloxyphenyl]methyl]-3-methoxybenzamide?
The InChIKey is DXZYVORRTZPJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-16(2)30-22-10-9-17(21-15-27-11-5-8-23(27)26-21)12-19(22)14-25-24(28)18-6-4-7-20(13-18)29-3/h4,6-7,9-10,12-13,15-16H,5,8,11,14H2,1-3H3,(H,25,28).
What are the key properties of N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-propan-2-yloxyphenyl]methyl]-3-methoxybenzamide?
N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-propan-2-yloxyphenyl]methyl]-3-methoxybenzamide has a molecular weight of 405.50 g/mol, XLogP of 4.22, 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-propan-2-yloxyphenyl]methyl]-3-methoxybenzamide is sourced from PubChem (CID 134369653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).