N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]acetamide

C12H11N5O — CID 155161491

IUPACN-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1cc(-c2nc3ccccc3[nH]2)[nH]n1
InChIInChI=1S/C12H11N5O/c1-7(18)13-11-6-10(16-17-11)12-14-8-4-2-3-5-9(8)15-12/h2-6H,1H3,(H,14,15)(H2,13,16,17,18)
InChIKeySOCCTZKFPVOBJS-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.91
Rot. Bonds2

About N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]acetamide

N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]acetamide (PubChem CID 155161491) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]acetamide
PubChem CID155161491
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC NameN-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1cc(-c2nc3ccccc3[nH]2)[nH]n1
InChIInChI=1S/C12H11N5O/c1-7(18)13-11-6-10(16-17-11)12-14-8-4-2-3-5-9(8)15-12/h2-6H,1H3,(H,14,15)(H2,13,16,17,18)
InChIKeySOCCTZKFPVOBJS-UHFFFAOYSA-N
XLogP1.91
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-4-(dimethylamino)benzamide
CID 155701119
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-chloro-4-methylbenzamide
CID 164954521
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 163228194
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 163228456
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 163227860
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-chloro-4-(2-methoxyethylamino)benzamide
CID 163227858
N-[2-(1H-benzimidazol-2-yl)phenyl]acetamide
CID 5137262
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-4-[(3R)-3-hydroxypyrrolidin-1-yl]benzamide
CID 163228324
5-(1H-benzimidazol-2-yl)-N-[(E)-1-(3,4,5-trimethoxyphenyl)but-1-enyl]-1H-pyrazol-3-amine
CID 155701129
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 167962918
2-(2,3-dichlorophenyl)-N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]acetamide
CID 135750659
tert-butyl N-[4-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]carbamate
CID 135491912

Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]acetamide?
The IUPAC name of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]acetamide (CID 155161491) is N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]acetamide?
The canonical SMILES for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]acetamide is CC(=O)Nc1cc(-c2nc3ccccc3[nH]2)[nH]n1.
What is the InChIKey of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]acetamide?
The InChIKey is SOCCTZKFPVOBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c1-7(18)13-11-6-10(16-17-11)12-14-8-4-2-3-5-9(8)15-12/h2-6H,1H3,(H,14,15)(H2,13,16,17,18).
What are the key properties of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]acetamide?
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]acetamide has a molecular weight of 241.25 g/mol, XLogP of 1.91, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]acetamide is sourced from PubChem (CID 155161491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).