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

C21H21N3O2 — CID 134369561

IUPACN-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2cccc(-c3cn4c(n3)CCC4)c2)cc1
InChIInChI=1S/C21H21N3O2/c1-26-18-9-7-16(8-10-18)21(25)22-13-15-4-2-5-17(12-15)19-14-24-11-3-6-20(24)23-19/h2,4-5,7-10,12,14H,3,6,11,13H2,1H3,(H,22,25)
InChIKeyWOHXAOWQRBNCMD-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]-4-methoxybenzamide

N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-4-methoxybenzamide (PubChem CID 134369561) 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]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-4-methoxybenzamide
PubChem CID134369561
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]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2cccc(-c3cn4c(n3)CCC4)c2)cc1
InChIInChI=1S/C21H21N3O2/c1-26-18-9-7-16(8-10-18)21(25)22-13-15-4-2-5-17(12-15)19-14-24-11-3-6-20(24)23-19/h2,4-5,7-10,12,14H,3,6,11,13H2,1H3,(H,22,25)
InChIKeyWOHXAOWQRBNCMD-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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Related Compounds

N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 134369599
N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2-(3,4-dimethylphenyl)acetamide
CID 134369574
N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]pyridine-2-carboxamide
CID 134369563
1-[(4-methoxyphenyl)methyl]-3-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]urea
CID 47075960
N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-N-methylbenzamide
CID 134369647
N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-phenoxyphenyl]methyl]-3-methoxybenzamide
CID 134369657
4-methoxy-N-[[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 4118576
1-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-(3-methoxyphenyl)-1-methylurea
CID 134369577
4-methoxy-N-[[3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]benzamide
CID 44573499
[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methanamine
CID 84734776
N-[[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-4-methoxybenzamide
CID 91498180
4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid
CID 61028664

Frequently Asked Questions

What is the IUPAC name of N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-4-methoxybenzamide?
The IUPAC name of N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-4-methoxybenzamide (CID 134369561) is N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-4-methoxybenzamide.
What is the SMILES notation for N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-4-methoxybenzamide?
The canonical SMILES for N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-4-methoxybenzamide is COc1ccc(C(=O)NCc2cccc(-c3cn4c(n3)CCC4)c2)cc1.
What is the InChIKey of N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-4-methoxybenzamide?
The InChIKey is WOHXAOWQRBNCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-26-18-9-7-16(8-10-18)21(25)22-13-15-4-2-5-17(12-15)19-14-24-11-3-6-20(24)23-19/h2,4-5,7-10,12,14H,3,6,11,13H2,1H3,(H,22,25).
What are the key properties of N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-4-methoxybenzamide?
N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-4-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]-4-methoxybenzamide is sourced from PubChem (CID 134369561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).