N-[1-(1H-imidazol-2-yl)-2-phenoxypropyl]-4-methoxybenzamide

C20H21N3O3 — CID 67227378

IUPACN-[1-(1H-imidazol-2-yl)-2-phenoxypropyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(c2ncc[nH]2)C(C)Oc2ccccc2)cc1
InChIInChI=1S/C20H21N3O3/c1-14(26-17-6-4-3-5-7-17)18(19-21-12-13-22-19)23-20(24)15-8-10-16(25-2)11-9-15/h3-14,18H,1-2H3,(H,21,22)(H,23,24)
InChIKeyFQNWYOKNJBWASM-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.36
Rot. Bonds7

About N-[1-(1H-imidazol-2-yl)-2-phenoxypropyl]-4-methoxybenzamide

N-[1-(1H-imidazol-2-yl)-2-phenoxypropyl]-4-methoxybenzamide (PubChem CID 67227378) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[1-(1H-imidazol-2-yl)-2-phenoxypropyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(1H-imidazol-2-yl)-2-phenoxypropyl]-4-methoxybenzamide
PubChem CID67227378
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[1-(1H-imidazol-2-yl)-2-phenoxypropyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(c2ncc[nH]2)C(C)Oc2ccccc2)cc1
InChIInChI=1S/C20H21N3O3/c1-14(26-17-6-4-3-5-7-17)18(19-21-12-13-22-19)23-20(24)15-8-10-16(25-2)11-9-15/h3-14,18H,1-2H3,(H,21,22)(H,23,24)
InChIKeyFQNWYOKNJBWASM-UHFFFAOYSA-N
XLogP3.36
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1H-imidazol-2-yl)-2-[(4-methoxybenzoyl)amino]propanoic acid
CID 57004426
4-methoxy-N-[phenyl(pyridin-3-yl)methyl]benzamide
CID 20896997
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-phenylbenzamide
CID 977346
4-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 854833
N-[(1S)-1-(1H-imidazol-2-yl)ethyl]-2-(7-methoxynaphthalen-1-yl)acetamide
CID 99801039
N-[di(propan-2-yloxy)phosphoryl-phenylmethyl]-4-methoxybenzamide
CID 101452186
4-methoxy-N-[2-(2-phenoxypropanoylamino)phenyl]benzamide
CID 17380470
(2R)-2-[(4-methoxybenzoyl)amino]-2-phenylacetate
CID 6948068
N-(2-amino-2-oxo-1-phenylethyl)-4-methoxybenzamide
CID 51315270
N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 38002269
1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003
(2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanedioic acid
CID 54549450

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-imidazol-2-yl)-2-phenoxypropyl]-4-methoxybenzamide?
The IUPAC name of N-[1-(1H-imidazol-2-yl)-2-phenoxypropyl]-4-methoxybenzamide (CID 67227378) is N-[1-(1H-imidazol-2-yl)-2-phenoxypropyl]-4-methoxybenzamide.
What is the SMILES notation for N-[1-(1H-imidazol-2-yl)-2-phenoxypropyl]-4-methoxybenzamide?
The canonical SMILES for N-[1-(1H-imidazol-2-yl)-2-phenoxypropyl]-4-methoxybenzamide is COc1ccc(C(=O)NC(c2ncc[nH]2)C(C)Oc2ccccc2)cc1.
What is the InChIKey of N-[1-(1H-imidazol-2-yl)-2-phenoxypropyl]-4-methoxybenzamide?
The InChIKey is FQNWYOKNJBWASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-14(26-17-6-4-3-5-7-17)18(19-21-12-13-22-19)23-20(24)15-8-10-16(25-2)11-9-15/h3-14,18H,1-2H3,(H,21,22)(H,23,24).
What are the key properties of N-[1-(1H-imidazol-2-yl)-2-phenoxypropyl]-4-methoxybenzamide?
N-[1-(1H-imidazol-2-yl)-2-phenoxypropyl]-4-methoxybenzamide has a molecular weight of 351.41 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-imidazol-2-yl)-2-phenoxypropyl]-4-methoxybenzamide is sourced from PubChem (CID 67227378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).