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

C23H25N3O2 — CID 134369717

IUPACN-[1-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]ethyl]-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NC(C)c2cccc(-c3cn4c(n3)CCC4)c2)ccc1C
InChIInChI=1S/C23H25N3O2/c1-15-9-10-19(13-21(15)28-3)23(27)24-16(2)17-6-4-7-18(12-17)20-14-26-11-5-8-22(26)25-20/h4,6-7,9-10,12-14,16H,5,8,11H2,1-3H3,(H,24,27)
InChIKeyJVORVSISZJNHRD-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.30
Rot. Bonds5

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

N-[1-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]ethyl]-3-methoxy-4-methylbenzamide (PubChem CID 134369717) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[1-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]ethyl]-3-methoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[1-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]ethyl]-3-methoxy-4-methylbenzamide
PubChem CID134369717
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-[1-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]ethyl]-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NC(C)c2cccc(-c3cn4c(n3)CCC4)c2)ccc1C
InChIInChI=1S/C23H25N3O2/c1-15-9-10-19(13-21(15)28-3)23(27)24-16(2)17-6-4-7-18(12-17)20-14-26-11-5-8-22(26)25-20/h4,6-7,9-10,12-14,16H,5,8,11H2,1-3H3,(H,24,27)
InChIKeyJVORVSISZJNHRD-UHFFFAOYSA-N
XLogP4.30
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 26009148
3-methoxy-4-methyl-N-(1-pyridin-3-ylethyl)benzamide
CID 18163096
N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-4-methoxybenzamide
CID 134369561
N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-3-methoxy-4-methylbenzamide
CID 134369694
3-methoxy-4-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856038
3-methoxy-4-methyl-N-(1-pyridin-4-ylethyl)benzamide
CID 18160597
N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2-(3,4-dimethylphenyl)acetamide
CID 134369574
N-[1-(4-chlorophenyl)ethyl]-3-methoxy-4-methylbenzamide
CID 134013068
N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-phenoxyphenyl]methyl]-3-methoxybenzamide
CID 134369657
2,3,4-trimethoxy-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 60525962
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3,4-dimethoxybenzamide
CID 51079805
N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3-methoxy-4,5-dimethylbenzamide
CID 153380256

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]ethyl]-3-methoxy-4-methylbenzamide?
The IUPAC name of N-[1-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]ethyl]-3-methoxy-4-methylbenzamide (CID 134369717) is N-[1-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]ethyl]-3-methoxy-4-methylbenzamide.
What is the SMILES notation for N-[1-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]ethyl]-3-methoxy-4-methylbenzamide?
The canonical SMILES for N-[1-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]ethyl]-3-methoxy-4-methylbenzamide is COc1cc(C(=O)NC(C)c2cccc(-c3cn4c(n3)CCC4)c2)ccc1C.
What is the InChIKey of N-[1-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]ethyl]-3-methoxy-4-methylbenzamide?
The InChIKey is JVORVSISZJNHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-15-9-10-19(13-21(15)28-3)23(27)24-16(2)17-6-4-7-18(12-17)20-14-26-11-5-8-22(26)25-20/h4,6-7,9-10,12-14,16H,5,8,11H2,1-3H3,(H,24,27).
What are the key properties of N-[1-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]ethyl]-3-methoxy-4-methylbenzamide?
N-[1-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]ethyl]-3-methoxy-4-methylbenzamide has a molecular weight of 375.47 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]ethyl]-3-methoxy-4-methylbenzamide is sourced from PubChem (CID 134369717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).