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

C21H21N3O2 — CID 134369556

IUPACN-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCc2cccc(-c3cn4c(n3)CCC4)c2)c1
InChIInChI=1S/C21H21N3O2/c1-26-18-8-3-7-17(12-18)21(25)22-13-15-5-2-6-16(11-15)19-14-24-10-4-9-20(24)23-19/h2-3,5-8,11-12,14H,4,9-10,13H2,1H3,(H,22,25)
InChIKeyKWPMSLGCMXLIRE-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.43
Rot. Bonds5

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

N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxybenzamide (PubChem CID 134369556) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxybenzamide
PubChem CID134369556
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCc2cccc(-c3cn4c(n3)CCC4)c2)c1
InChIInChI=1S/C21H21N3O2/c1-26-18-8-3-7-17(12-18)21(25)22-13-15-5-2-6-16(11-15)19-14-24-10-4-9-20(24)23-19/h2-3,5-8,11-12,14H,4,9-10,13H2,1H3,(H,22,25)
InChIKeyKWPMSLGCMXLIRE-UHFFFAOYSA-N
XLogP3.43
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-methoxybenzamide?
The IUPAC name of N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxybenzamide (CID 134369556) is N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxybenzamide.
What is the SMILES notation for N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxybenzamide?
The canonical SMILES for N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxybenzamide is COc1cccc(C(=O)NCc2cccc(-c3cn4c(n3)CCC4)c2)c1.
What is the InChIKey of N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxybenzamide?
The InChIKey is KWPMSLGCMXLIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-26-18-8-3-7-17(12-18)21(25)22-13-15-5-2-6-16(11-15)19-14-24-10-4-9-20(24)23-19/h2-3,5-8,11-12,14H,4,9-10,13H2,1H3,(H,22,25).
What are the key properties of N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxybenzamide?
N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxybenzamide has a molecular weight of 347.42 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 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-methoxybenzamide is sourced from PubChem (CID 134369556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).