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

C24H27N3O2 — CID 134369560

IUPACN-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-N-propan-2-ylbenzamide
SMILESCOc1cccc(C(=O)N(Cc2cccc(-c3cn4c(n3)CCC4)c2)C(C)C)c1
InChIInChI=1S/C24H27N3O2/c1-17(2)27(24(28)20-9-5-10-21(14-20)29-3)15-18-7-4-8-19(13-18)22-16-26-12-6-11-23(26)25-22/h4-5,7-10,13-14,16-17H,6,11-12,15H2,1-3H3
InChIKeyOBJNBTSQQVOQHS-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.56
Rot. Bonds6

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

N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-N-propan-2-ylbenzamide (PubChem CID 134369560) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-N-propan-2-ylbenzamide
PubChem CID134369560
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC NameN-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-N-propan-2-ylbenzamide
SMILESCOc1cccc(C(=O)N(Cc2cccc(-c3cn4c(n3)CCC4)c2)C(C)C)c1
InChIInChI=1S/C24H27N3O2/c1-17(2)27(24(28)20-9-5-10-21(14-20)29-3)15-18-7-4-8-19(13-18)22-16-26-12-6-11-23(26)25-22/h4-5,7-10,13-14,16-17H,6,11-12,15H2,1-3H3
InChIKeyOBJNBTSQQVOQHS-UHFFFAOYSA-N
XLogP4.56
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-N-propan-2-ylbenzamide 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-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-N-propan-2-ylbenzamide?
The IUPAC name of N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-N-propan-2-ylbenzamide (CID 134369560) is N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-N-propan-2-ylbenzamide.
What is the SMILES notation for N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-N-propan-2-ylbenzamide?
The canonical SMILES for N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-N-propan-2-ylbenzamide is COc1cccc(C(=O)N(Cc2cccc(-c3cn4c(n3)CCC4)c2)C(C)C)c1.
What is the InChIKey of N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-N-propan-2-ylbenzamide?
The InChIKey is OBJNBTSQQVOQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-17(2)27(24(28)20-9-5-10-21(14-20)29-3)15-18-7-4-8-19(13-18)22-16-26-12-6-11-23(26)25-22/h4-5,7-10,13-14,16-17H,6,11-12,15H2,1-3H3.
What are the key properties of N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-N-propan-2-ylbenzamide?
N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-N-propan-2-ylbenzamide has a molecular weight of 389.50 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-N-propan-2-ylbenzamide is sourced from PubChem (CID 134369560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).