2-(2-cyclopropylbenzimidazol-1-yl)-N-(1H-pyrazol-5-ylmethyl)acetamide

C16H17N5O — CID 56822779

IUPAC2-(2-cyclopropylbenzimidazol-1-yl)-N-(1H-pyrazol-5-ylmethyl)acetamide
SMILESO=C(Cn1c(C2CC2)nc2ccccc21)NCc1ccn[nH]1
InChIInChI=1S/C16H17N5O/c22-15(17-9-12-7-8-18-20-12)10-21-14-4-2-1-3-13(14)19-16(21)11-5-6-11/h1-4,7-8,11H,5-6,9-10H2,(H,17,22)(H,18,20)
InChIKeyGTYNGILWBHSQJD-UHFFFAOYSA-N
MW295.35 g/mol
LogP1.95
Rot. Bonds5

About 2-(2-cyclopropylbenzimidazol-1-yl)-N-(1H-pyrazol-5-ylmethyl)acetamide

2-(2-cyclopropylbenzimidazol-1-yl)-N-(1H-pyrazol-5-ylmethyl)acetamide (PubChem CID 56822779) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 2-(2-cyclopropylbenzimidazol-1-yl)-N-(1H-pyrazol-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-cyclopropylbenzimidazol-1-yl)-N-(1H-pyrazol-5-ylmethyl)acetamide
PubChem CID56822779
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name2-(2-cyclopropylbenzimidazol-1-yl)-N-(1H-pyrazol-5-ylmethyl)acetamide
SMILESO=C(Cn1c(C2CC2)nc2ccccc21)NCc1ccn[nH]1
InChIInChI=1S/C16H17N5O/c22-15(17-9-12-7-8-18-20-12)10-21-14-4-2-1-3-13(14)19-16(21)11-5-6-11/h1-4,7-8,11H,5-6,9-10H2,(H,17,22)(H,18,20)
InChIKeyGTYNGILWBHSQJD-UHFFFAOYSA-N
XLogP1.95
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-cyclopropylbenzimidazol-1-yl)-N-propylacetamide
CID 17028756
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide
CID 71899076
N-(2-chlorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide
CID 17028771
2-(2-cyclopropylbenzimidazol-1-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 111445865
2-(2-cyclopropylbenzimidazol-1-yl)-N-(2-ethylphenyl)acetamide
CID 17028774
2-(2-cyclopropylbenzimidazol-1-yl)-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide
CID 95211780
(2S)-2-[[2-(2-cyclopropylbenzimidazol-1-yl)acetyl]amino]-2-methylbutanoic acid
CID 97095427
N-benzyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide
CID 17033297
N-(2-butan-2-ylpyrazol-3-yl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide
CID 46990812
2-(2-cyclopropylbenzimidazol-1-yl)-N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 133268279
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 2-(2-cyclopropylbenzimidazol-1-yl)-N-(1H-pyrazol-5-ylmethyl)acetamide?
The IUPAC name of 2-(2-cyclopropylbenzimidazol-1-yl)-N-(1H-pyrazol-5-ylmethyl)acetamide (CID 56822779) is 2-(2-cyclopropylbenzimidazol-1-yl)-N-(1H-pyrazol-5-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-cyclopropylbenzimidazol-1-yl)-N-(1H-pyrazol-5-ylmethyl)acetamide?
The canonical SMILES for 2-(2-cyclopropylbenzimidazol-1-yl)-N-(1H-pyrazol-5-ylmethyl)acetamide is O=C(Cn1c(C2CC2)nc2ccccc21)NCc1ccn[nH]1.
What is the InChIKey of 2-(2-cyclopropylbenzimidazol-1-yl)-N-(1H-pyrazol-5-ylmethyl)acetamide?
The InChIKey is GTYNGILWBHSQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c22-15(17-9-12-7-8-18-20-12)10-21-14-4-2-1-3-13(14)19-16(21)11-5-6-11/h1-4,7-8,11H,5-6,9-10H2,(H,17,22)(H,18,20).
What are the key properties of 2-(2-cyclopropylbenzimidazol-1-yl)-N-(1H-pyrazol-5-ylmethyl)acetamide?
2-(2-cyclopropylbenzimidazol-1-yl)-N-(1H-pyrazol-5-ylmethyl)acetamide has a molecular weight of 295.35 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylbenzimidazol-1-yl)-N-(1H-pyrazol-5-ylmethyl)acetamide is sourced from PubChem (CID 56822779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).