5-fluoro-2-methoxy-N-[[2-[(3R)-1-methylpyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]benzamide

C17H21FN4O2 — CID 124949521

IUPAC5-fluoro-2-methoxy-N-[[2-[(3R)-1-methylpyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]benzamide
SMILESCOc1ccc(F)cc1C(=O)NCc1cnc([C@@H]2CCN(C)C2)[nH]1
InChIInChI=1S/C17H21FN4O2/c1-22-6-5-11(10-22)16-19-8-13(21-16)9-20-17(23)14-7-12(18)3-4-15(14)24-2/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,19,21)(H,20,23)/t11-/m1/s1
InChIKeyCUPZNCBJKYQYDG-LLVKDONJSA-N
MW332.38 g/mol
LogP1.91
Rot. Bonds5

About 5-fluoro-2-methoxy-N-[[2-[(3R)-1-methylpyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]benzamide

5-fluoro-2-methoxy-N-[[2-[(3R)-1-methylpyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]benzamide (PubChem CID 124949521) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-N-[[2-[(3R)-1-methylpyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]benzamide.

Molecular Properties

Compound Name5-fluoro-2-methoxy-N-[[2-[(3R)-1-methylpyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]benzamide
PubChem CID124949521
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC Name5-fluoro-2-methoxy-N-[[2-[(3R)-1-methylpyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]benzamide
SMILESCOc1ccc(F)cc1C(=O)NCc1cnc([C@@H]2CCN(C)C2)[nH]1
InChIInChI=1S/C17H21FN4O2/c1-22-6-5-11(10-22)16-19-8-13(21-16)9-20-17(23)14-7-12(18)3-4-15(14)24-2/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,19,21)(H,20,23)/t11-/m1/s1
InChIKeyCUPZNCBJKYQYDG-LLVKDONJSA-N
XLogP1.91
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxy-5-methylphenyl)-N-[[2-[(3R)-1-methylpyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide
CID 124967560
(5-fluoro-2-methoxyphenyl)-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone
CID 124972419
N-[[2-[(3S)-1-methylpyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]-2-(5-methylthiophen-2-yl)acetamide
CID 124962322
N-[[2-[(3R)-1-[(5-fluoro-2-pyridinyl)methyl]pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide
CID 125013153
N-[[2-(1-methylpyrrolidin-3-yl)-1H-imidazol-5-yl]methyl]-2-(2-oxoazepan-1-yl)acetamide
CID 110119116
5-fluoro-N-[2-(4-fluorophenyl)ethyl]-2-methoxybenzamide
CID 31069458
5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 31069159
N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-5-fluoro-2-methoxybenzamide
CID 94020752
4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]benzoic acid
CID 162755933
2-chloro-5-fluoro-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-carboxamide
CID 114034209
N-[[2-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide
CID 124963297
5-fluoro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537854

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-N-[[2-[(3R)-1-methylpyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]benzamide?
The IUPAC name of 5-fluoro-2-methoxy-N-[[2-[(3R)-1-methylpyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]benzamide (CID 124949521) is 5-fluoro-2-methoxy-N-[[2-[(3R)-1-methylpyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]benzamide.
What is the SMILES notation for 5-fluoro-2-methoxy-N-[[2-[(3R)-1-methylpyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]benzamide?
The canonical SMILES for 5-fluoro-2-methoxy-N-[[2-[(3R)-1-methylpyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]benzamide is COc1ccc(F)cc1C(=O)NCc1cnc([C@@H]2CCN(C)C2)[nH]1.
What is the InChIKey of 5-fluoro-2-methoxy-N-[[2-[(3R)-1-methylpyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]benzamide?
The InChIKey is CUPZNCBJKYQYDG-LLVKDONJSA-N. The full InChI is InChI=1S/C17H21FN4O2/c1-22-6-5-11(10-22)16-19-8-13(21-16)9-20-17(23)14-7-12(18)3-4-15(14)24-2/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,19,21)(H,20,23)/t11-/m1/s1.
What are the key properties of 5-fluoro-2-methoxy-N-[[2-[(3R)-1-methylpyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]benzamide?
5-fluoro-2-methoxy-N-[[2-[(3R)-1-methylpyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]benzamide has a molecular weight of 332.38 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-N-[[2-[(3R)-1-methylpyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]benzamide is sourced from PubChem (CID 124949521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).