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

C22H23N3O2 — CID 134369669

IUPACN-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NCc2cccc(-c3cn4c(n3)CCC4)c2)ccc1C
InChIInChI=1S/C22H23N3O2/c1-15-8-9-18(12-20(15)27-2)22(26)23-13-16-5-3-6-17(11-16)19-14-25-10-4-7-21(25)24-19/h3,5-6,8-9,11-12,14H,4,7,10,13H2,1-2H3,(H,23,26)
InChIKeyNBPITMNATCCMHH-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.74
Rot. Bonds5

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

N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-4-methylbenzamide (PubChem CID 134369669) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-4-methylbenzamide
PubChem CID134369669
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NCc2cccc(-c3cn4c(n3)CCC4)c2)ccc1C
InChIInChI=1S/C22H23N3O2/c1-15-8-9-18(12-20(15)27-2)22(26)23-13-16-5-3-6-17(11-16)19-14-25-10-4-7-21(25)24-19/h3,5-6,8-9,11-12,14H,4,7,10,13H2,1-2H3,(H,23,26)
InChIKeyNBPITMNATCCMHH-UHFFFAOYSA-N
XLogP3.74
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.74
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-methoxy-4-methylbenzamide?
The IUPAC name of N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-4-methylbenzamide (CID 134369669) is N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-4-methylbenzamide.
What is the SMILES notation for N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-4-methylbenzamide?
The canonical SMILES for N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-4-methylbenzamide is COc1cc(C(=O)NCc2cccc(-c3cn4c(n3)CCC4)c2)ccc1C.
What is the InChIKey of N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-4-methylbenzamide?
The InChIKey is NBPITMNATCCMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-15-8-9-18(12-20(15)27-2)22(26)23-13-16-5-3-6-17(11-16)19-14-25-10-4-7-21(25)24-19/h3,5-6,8-9,11-12,14H,4,7,10,13H2,1-2H3,(H,23,26).
What are the key properties of N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-4-methylbenzamide?
N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-4-methylbenzamide has a molecular weight of 361.45 g/mol, XLogP of 3.74, 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-methoxy-4-methylbenzamide is sourced from PubChem (CID 134369669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).