N-[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetamide

C19H22FN5O2 — CID 134697140

IUPACN-[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetamide
SMILESCc1cc(NC(=O)COCc2nc3ccc(F)cc3[nH]2)n(C(C)C2CC2)n1
InChIInChI=1S/C19H22FN5O2/c1-11-7-18(25(24-11)12(2)13-3-4-13)23-19(26)10-27-9-17-21-15-6-5-14(20)8-16(15)22-17/h5-8,12-13H,3-4,9-10H2,1-2H3,(H,21,22)(H,23,26)
InChIKeyPGIWHUXIBBLPPW-UHFFFAOYSA-N
MW371.42 g/mol
LogP3.33
Rot. Bonds7

About N-[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetamide

N-[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetamide (PubChem CID 134697140) has the molecular formula C19H22FN5O2 and a molecular weight of 371.42 g/mol. Its IUPAC name is N-[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetamide.

Molecular Properties

Compound NameN-[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetamide
PubChem CID134697140
Molecular FormulaC19H22FN5O2
Molecular Weight371.42 g/mol
Exact Mass371.18
IUPAC NameN-[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetamide
SMILESCc1cc(NC(=O)COCc2nc3ccc(F)cc3[nH]2)n(C(C)C2CC2)n1
InChIInChI=1S/C19H22FN5O2/c1-11-7-18(25(24-11)12(2)13-3-4-13)23-19(26)10-27-9-17-21-15-6-5-14(20)8-16(15)22-17/h5-8,12-13H,3-4,9-10H2,1-2H3,(H,21,22)(H,23,26)
InChIKeyPGIWHUXIBBLPPW-UHFFFAOYSA-N
XLogP3.33
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetyl]amino]-4-methylpentanoic acid
CID 91796999
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]ethanone
CID 118774627
2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-N-[(3-propyl-1,2-oxazol-5-yl)methyl]acetamide
CID 131895763
2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)acetamide
CID 131934776
2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-1-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]ethanone
CID 135111792
2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-1-[(3S)-3-propoxypiperidin-1-yl]ethanone
CID 125172798
2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]acetamide
CID 90649450
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetamide
CID 91831716
2-(cyclopropylmethylamino)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]acetamide;dihydrochloride
CID 119885380
methyl 2-[2-[3-fluoro-4-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]pyrrolidin-1-yl]-2-oxoethoxy]acetate
CID 162852967
2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-1-[(4R)-4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 96576705
N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide
CID 91792802

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetamide?
The IUPAC name of N-[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetamide (CID 134697140) is N-[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetamide.
What is the SMILES notation for N-[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetamide?
The canonical SMILES for N-[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetamide is Cc1cc(NC(=O)COCc2nc3ccc(F)cc3[nH]2)n(C(C)C2CC2)n1.
What is the InChIKey of N-[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetamide?
The InChIKey is PGIWHUXIBBLPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O2/c1-11-7-18(25(24-11)12(2)13-3-4-13)23-19(26)10-27-9-17-21-15-6-5-14(20)8-16(15)22-17/h5-8,12-13H,3-4,9-10H2,1-2H3,(H,21,22)(H,23,26).
What are the key properties of N-[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetamide?
N-[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetamide has a molecular weight of 371.42 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetamide is sourced from PubChem (CID 134697140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).