3-cyclopentyloxy-N-(1H-imidazol-2-ylmethyl)-4-methoxybenzamide

C17H21N3O3 — CID 75520735

IUPAC3-cyclopentyloxy-N-(1H-imidazol-2-ylmethyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ncc[nH]2)cc1OC1CCCC1
InChIInChI=1S/C17H21N3O3/c1-22-14-7-6-12(10-15(14)23-13-4-2-3-5-13)17(21)20-11-16-18-8-9-19-16/h6-10,13H,2-5,11H2,1H3,(H,18,19)(H,20,21)
InChIKeyILSUXNBZYRZZNC-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.67
Rot. Bonds6

About 3-cyclopentyloxy-N-(1H-imidazol-2-ylmethyl)-4-methoxybenzamide

3-cyclopentyloxy-N-(1H-imidazol-2-ylmethyl)-4-methoxybenzamide (PubChem CID 75520735) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 3-cyclopentyloxy-N-(1H-imidazol-2-ylmethyl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-cyclopentyloxy-N-(1H-imidazol-2-ylmethyl)-4-methoxybenzamide
PubChem CID75520735
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name3-cyclopentyloxy-N-(1H-imidazol-2-ylmethyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ncc[nH]2)cc1OC1CCCC1
InChIInChI=1S/C17H21N3O3/c1-22-14-7-6-12(10-15(14)23-13-4-2-3-5-13)17(21)20-11-16-18-8-9-19-16/h6-10,13H,2-5,11H2,1H3,(H,18,19)(H,20,21)
InChIKeyILSUXNBZYRZZNC-UHFFFAOYSA-N
XLogP2.67
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopentyloxy-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methoxybenzamide
CID 75503642
2-[[(3-cyclopentyloxy-4-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 120527073
3-cyclopentyloxy-N-(4-fluorophenyl)-4-methoxybenzamide
CID 10404302
3-cyclopentyloxy-N-[4-(diaminomethylideneamino)butyl]-4-methoxybenzamide
CID 175335295
3-cyclopentyloxy-4-methoxy-N-[(3S)-5-oxopyrrolidin-3-yl]benzamide
CID 10313807
N-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 47041805
3-chloro-4-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide
CID 25284964
2-amino-1-(3-cyclopentyloxy-4-methoxyphenyl)ethanone
CID 117376031
2-bromo-1-(3-cyclopentyloxy-4-methoxyphenyl)ethanone
CID 54438505
4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxy-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 72856524
5-(4-fluoro-2-methoxyphenyl)-N-(1H-imidazol-2-ylmethyl)naphthalene-2-carboxamide
CID 172674366
N-(1H-imidazol-2-ylmethyl)-2-(methylamino)pyridine-4-carboxamide
CID 64523208

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyloxy-N-(1H-imidazol-2-ylmethyl)-4-methoxybenzamide?
The IUPAC name of 3-cyclopentyloxy-N-(1H-imidazol-2-ylmethyl)-4-methoxybenzamide (CID 75520735) is 3-cyclopentyloxy-N-(1H-imidazol-2-ylmethyl)-4-methoxybenzamide.
What is the SMILES notation for 3-cyclopentyloxy-N-(1H-imidazol-2-ylmethyl)-4-methoxybenzamide?
The canonical SMILES for 3-cyclopentyloxy-N-(1H-imidazol-2-ylmethyl)-4-methoxybenzamide is COc1ccc(C(=O)NCc2ncc[nH]2)cc1OC1CCCC1.
What is the InChIKey of 3-cyclopentyloxy-N-(1H-imidazol-2-ylmethyl)-4-methoxybenzamide?
The InChIKey is ILSUXNBZYRZZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-22-14-7-6-12(10-15(14)23-13-4-2-3-5-13)17(21)20-11-16-18-8-9-19-16/h6-10,13H,2-5,11H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 3-cyclopentyloxy-N-(1H-imidazol-2-ylmethyl)-4-methoxybenzamide?
3-cyclopentyloxy-N-(1H-imidazol-2-ylmethyl)-4-methoxybenzamide has a molecular weight of 315.37 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyloxy-N-(1H-imidazol-2-ylmethyl)-4-methoxybenzamide is sourced from PubChem (CID 75520735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).