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

C18H19N3O2 — CID 91498180

IUPACN-[[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2cccc(C3=NCCN3)c2)cc1
InChIInChI=1S/C18H19N3O2/c1-23-16-7-5-14(6-8-16)18(22)21-12-13-3-2-4-15(11-13)17-19-9-10-20-17/h2-8,11H,9-10,12H2,1H3,(H,19,20)(H,21,22)
InChIKeyQNJDCRXTUHJKMR-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.98
Rot. Bonds5

About N-[[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-4-methoxybenzamide

N-[[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-4-methoxybenzamide (PubChem CID 91498180) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-4-methoxybenzamide
PubChem CID91498180
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-[[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2cccc(C3=NCCN3)c2)cc1
InChIInChI=1S/C18H19N3O2/c1-23-16-7-5-14(6-8-16)18(22)21-12-13-3-2-4-15(11-13)17-19-9-10-20-17/h2-8,11H,9-10,12H2,1H3,(H,19,20)(H,21,22)
InChIKeyQNJDCRXTUHJKMR-UHFFFAOYSA-N
XLogP1.98
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 4118576
4-methoxy-N-[[3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]benzamide
CID 44573499
N-[(4-methoxyphenyl)methyl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide
CID 170951274
N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-4-methoxybenzamide
CID 134369561
4-methoxy-N-[[3-[[(4-methylphenyl)methylcarbamoylamino]methyl]phenyl]methyl]benzamide
CID 23988040
4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid
CID 61028664
N-[(3-methoxyphenyl)methyl]-4-pyridin-2-ylbenzamide
CID 59673307
3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10272573
4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-[(3-methoxyphenyl)methyl]benzamide
CID 53116698
5-[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]-N-(2-oxoethyl)furan-2-carboxamide;N-methylmethanamine;propane
CID 143994894
N-[(4-methoxyphenyl)methyl]naphthalene-2-carboxamide
CID 883831
N-[(3-bromophenyl)methyl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide
CID 53166560

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-4-methoxybenzamide?
The IUPAC name of N-[[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-4-methoxybenzamide (CID 91498180) is N-[[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-4-methoxybenzamide.
What is the SMILES notation for N-[[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-4-methoxybenzamide?
The canonical SMILES for N-[[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-4-methoxybenzamide is COc1ccc(C(=O)NCc2cccc(C3=NCCN3)c2)cc1.
What is the InChIKey of N-[[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-4-methoxybenzamide?
The InChIKey is QNJDCRXTUHJKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-23-16-7-5-14(6-8-16)18(22)21-12-13-3-2-4-15(11-13)17-19-9-10-20-17/h2-8,11H,9-10,12H2,1H3,(H,19,20)(H,21,22).
What are the key properties of N-[[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-4-methoxybenzamide?
N-[[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-4-methoxybenzamide has a molecular weight of 309.37 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-4-methoxybenzamide is sourced from PubChem (CID 91498180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).