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

C23H26N4O2 — CID 134369666

IUPACN-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-(dimethylamino)phenyl]methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCc2cc(-c3cn4c(n3)CCC4)ccc2N(C)C)c1
InChIInChI=1S/C23H26N4O2/c1-26(2)21-10-9-16(20-15-27-11-5-8-22(27)25-20)12-18(21)14-24-23(28)17-6-4-7-19(13-17)29-3/h4,6-7,9-10,12-13,15H,5,8,11,14H2,1-3H3,(H,24,28)
InChIKeyNYCQMHOKYBUOQV-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.50
Rot. Bonds6

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

N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-(dimethylamino)phenyl]methyl]-3-methoxybenzamide (PubChem CID 134369666) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-(dimethylamino)phenyl]methyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-(dimethylamino)phenyl]methyl]-3-methoxybenzamide
PubChem CID134369666
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-(dimethylamino)phenyl]methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCc2cc(-c3cn4c(n3)CCC4)ccc2N(C)C)c1
InChIInChI=1S/C23H26N4O2/c1-26(2)21-10-9-16(20-15-27-11-5-8-22(27)25-20)12-18(21)14-24-23(28)17-6-4-7-19(13-17)29-3/h4,6-7,9-10,12-13,15H,5,8,11,14H2,1-3H3,(H,24,28)
InChIKeyNYCQMHOKYBUOQV-UHFFFAOYSA-N
XLogP3.50
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylmethyl)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxybenzamide
CID 134369559
N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3,5-dimethoxy-4-methylbenzamide
CID 138470423
US10501466, Example B12
CID 137349382
3-methoxy-4-(4-methylimidazol-1-yl)-N-[(3-phenylphenyl)methyl]benzamide
CID 52935148
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide
CID 57465247
3-methoxy-4-(4-methylimidazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 66791090
N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3-methoxy-4-methylbenzamide
CID 134364156
N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxybenzamide
CID 134364178
N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxybenzamide
CID 134369556
N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-N-propan-2-ylbenzamide
CID 134369560
N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3,4-dimethoxybenzamide
CID 134369568
N-(cyclopropylmethyl)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2-methoxypyridine-4-carboxamide
CID 134369594

Frequently Asked Questions

What is the IUPAC name of N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-(dimethylamino)phenyl]methyl]-3-methoxybenzamide?
The IUPAC name of N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-(dimethylamino)phenyl]methyl]-3-methoxybenzamide (CID 134369666) is N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-(dimethylamino)phenyl]methyl]-3-methoxybenzamide.
What is the SMILES notation for N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-(dimethylamino)phenyl]methyl]-3-methoxybenzamide?
The canonical SMILES for N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-(dimethylamino)phenyl]methyl]-3-methoxybenzamide is COc1cccc(C(=O)NCc2cc(-c3cn4c(n3)CCC4)ccc2N(C)C)c1.
What is the InChIKey of N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-(dimethylamino)phenyl]methyl]-3-methoxybenzamide?
The InChIKey is NYCQMHOKYBUOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-26(2)21-10-9-16(20-15-27-11-5-8-22(27)25-20)12-18(21)14-24-23(28)17-6-4-7-19(13-17)29-3/h4,6-7,9-10,12-13,15H,5,8,11,14H2,1-3H3,(H,24,28).
What are the key properties of N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-(dimethylamino)phenyl]methyl]-3-methoxybenzamide?
N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-(dimethylamino)phenyl]methyl]-3-methoxybenzamide has a molecular weight of 390.49 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-(dimethylamino)phenyl]methyl]-3-methoxybenzamide is sourced from PubChem (CID 134369666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).