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

C22H23N3O2 — CID 134369647

IUPACN-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-N-methylbenzamide
SMILESCOc1cccc(C(=O)N(C)Cc2cccc(-c3cn4c(n3)CCC4)c2)c1
InChIInChI=1S/C22H23N3O2/c1-24(22(26)18-8-4-9-19(13-18)27-2)14-16-6-3-7-17(12-16)20-15-25-11-5-10-21(25)23-20/h3-4,6-9,12-13,15H,5,10-11,14H2,1-2H3
InChIKeyHDBYUCSDPPUAQR-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.78
Rot. Bonds5

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

N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-N-methylbenzamide (PubChem CID 134369647) 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-N-methylbenzamide.

Molecular Properties

Compound NameN-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-N-methylbenzamide
PubChem CID134369647
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-N-methylbenzamide
SMILESCOc1cccc(C(=O)N(C)Cc2cccc(-c3cn4c(n3)CCC4)c2)c1
InChIInChI=1S/C22H23N3O2/c1-24(22(26)18-8-4-9-19(13-18)27-2)14-16-6-3-7-17(12-16)20-15-25-11-5-10-21(25)23-20/h3-4,6-9,12-13,15H,5,10-11,14H2,1-2H3
InChIKeyHDBYUCSDPPUAQR-UHFFFAOYSA-N
XLogP3.78
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(dicyclopropylmethyl)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxybenzamide
CID 134369624
1-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-(3-methoxyphenyl)-1-methylurea
CID 134369577
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
N-[[2-cyclohexyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3-methoxybenzamide
CID 134369638
N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-phenoxyphenyl]methyl]-3-methoxybenzamide
CID 134369657
[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methanamine
CID 84734776
1-[(4-methoxyphenyl)methyl]-3-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]urea
CID 47075960
4-[[3-[[[2-(3,5-dichlorophenyl)acetyl]-methylamino]methyl]-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methoxy]-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-N-(1-phenylethyl)benzamide
CID 134370116
N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-2-(3,4-dichlorophenyl)acetamide;N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3-methoxybenzamide;2-(3,4-dichlorophenyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-phenylphenyl]methyl]acetamide;N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-ethoxy-N-methylbenzamide;N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-pyrrolidin-1-ylphenyl]methyl]-3-methoxybenzamide
CID 157134320
(2S)-N-(cyclopropylmethyl)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2-phenylpropanamide
CID 134369604
N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]pyridine-2-carboxamide
CID 134369563
3-methoxy-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 113095830

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-methylbenzamide?
The IUPAC name of N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-N-methylbenzamide (CID 134369647) is N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-N-methylbenzamide.
What is the SMILES notation for N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-N-methylbenzamide?
The canonical SMILES for N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-N-methylbenzamide is COc1cccc(C(=O)N(C)Cc2cccc(-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-methoxy-N-methylbenzamide?
The InChIKey is HDBYUCSDPPUAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-24(22(26)18-8-4-9-19(13-18)27-2)14-16-6-3-7-17(12-16)20-15-25-11-5-10-21(25)23-20/h3-4,6-9,12-13,15H,5,10-11,14H2,1-2H3.
What are the key properties of N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-N-methylbenzamide?
N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-N-methylbenzamide has a molecular weight of 361.45 g/mol, XLogP of 3.78, 5 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-methylbenzamide is sourced from PubChem (CID 134369647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).