N-(2-butan-2-ylpyrazol-3-yl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide

C19H23N5O — CID 46990812

IUPACN-(2-butan-2-ylpyrazol-3-yl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide
SMILESCCC(C)n1nccc1NC(=O)Cn1c(C2CC2)nc2ccccc21
InChIInChI=1S/C19H23N5O/c1-3-13(2)24-17(10-11-20-24)22-18(25)12-23-16-7-5-4-6-15(16)21-19(23)14-8-9-14/h4-7,10-11,13-14H,3,8-9,12H2,1-2H3,(H,22,25)
InChIKeyUEWHSNXAUVGMDM-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.72
Rot. Bonds6

About N-(2-butan-2-ylpyrazol-3-yl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide

N-(2-butan-2-ylpyrazol-3-yl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide (PubChem CID 46990812) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is N-(2-butan-2-ylpyrazol-3-yl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-butan-2-ylpyrazol-3-yl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide
PubChem CID46990812
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC NameN-(2-butan-2-ylpyrazol-3-yl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide
SMILESCCC(C)n1nccc1NC(=O)Cn1c(C2CC2)nc2ccccc21
InChIInChI=1S/C19H23N5O/c1-3-13(2)24-17(10-11-20-24)22-18(25)12-23-16-7-5-4-6-15(16)21-19(23)14-8-9-14/h4-7,10-11,13-14H,3,8-9,12H2,1-2H3,(H,22,25)
InChIKeyUEWHSNXAUVGMDM-UHFFFAOYSA-N
XLogP3.72
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-cyclopropylbenzimidazol-1-yl)-N-(2-ethylphenyl)acetamide
CID 17028774
2-(2-cyclopropylbenzimidazol-1-yl)-N-propylacetamide
CID 17028756
2-(2-cyclopropylbenzimidazol-1-yl)-N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 134699026
N-(2-chlorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide
CID 17028771
(2S)-2-[[2-(2-cyclopropylbenzimidazol-1-yl)acetyl]amino]-2-methylbutanoic acid
CID 97095427
2-(2-cyclohexylbenzimidazol-1-yl)-N-(2-ethylphenyl)acetamide
CID 17028725
2-(2-methylsulfonylbenzimidazol-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 30886599
N-(3-chloro-2-propan-2-yloxyphenyl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide
CID 86970901
N-(2-butan-2-ylpyrazol-3-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 78778329
2-(2-cyclopropylbenzimidazol-1-yl)-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide
CID 95211780
N-(4-bromo-2-fluorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide
CID 134025315
2-(2-cyclopropylbenzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 17028781

Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-ylpyrazol-3-yl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-(2-butan-2-ylpyrazol-3-yl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide (CID 46990812) is N-(2-butan-2-ylpyrazol-3-yl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-(2-butan-2-ylpyrazol-3-yl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-(2-butan-2-ylpyrazol-3-yl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide is CCC(C)n1nccc1NC(=O)Cn1c(C2CC2)nc2ccccc21.
What is the InChIKey of N-(2-butan-2-ylpyrazol-3-yl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide?
The InChIKey is UEWHSNXAUVGMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-3-13(2)24-17(10-11-20-24)22-18(25)12-23-16-7-5-4-6-15(16)21-19(23)14-8-9-14/h4-7,10-11,13-14H,3,8-9,12H2,1-2H3,(H,22,25).
What are the key properties of N-(2-butan-2-ylpyrazol-3-yl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide?
N-(2-butan-2-ylpyrazol-3-yl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide has a molecular weight of 337.43 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-ylpyrazol-3-yl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 46990812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).