2-[2-(5-aminopyrazol-1-yl)benzimidazol-1-yl]-1-(4-methoxyphenyl)ethanone

C19H17N5O2 — CID 67166740

IUPAC2-[2-(5-aminopyrazol-1-yl)benzimidazol-1-yl]-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)Cn2c(-n3nccc3N)nc3ccccc32)cc1
InChIInChI=1S/C19H17N5O2/c1-26-14-8-6-13(7-9-14)17(25)12-23-16-5-3-2-4-15(16)22-19(23)24-18(20)10-11-21-24/h2-11H,12,20H2,1H3
InChIKeyCCINIUCAMDYOEZ-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.70
Rot. Bonds5

About 2-[2-(5-aminopyrazol-1-yl)benzimidazol-1-yl]-1-(4-methoxyphenyl)ethanone

2-[2-(5-aminopyrazol-1-yl)benzimidazol-1-yl]-1-(4-methoxyphenyl)ethanone (PubChem CID 67166740) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 2-[2-(5-aminopyrazol-1-yl)benzimidazol-1-yl]-1-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-[2-(5-aminopyrazol-1-yl)benzimidazol-1-yl]-1-(4-methoxyphenyl)ethanone
PubChem CID67166740
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name2-[2-(5-aminopyrazol-1-yl)benzimidazol-1-yl]-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)Cn2c(-n3nccc3N)nc3ccccc32)cc1
InChIInChI=1S/C19H17N5O2/c1-26-14-8-6-13(7-9-14)17(25)12-23-16-5-3-2-4-15(16)22-19(23)24-18(20)10-11-21-24/h2-11H,12,20H2,1H3
InChIKeyCCINIUCAMDYOEZ-UHFFFAOYSA-N
XLogP2.70
TPSA87.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2,6-Difluoro-4-Methoxyphenyl)-1-(4-{4-[(3-Methyl-1h-Pyrazol-5-Yl)amino]pyrrolo[2,1-F][1,2,4]triazin-2-Yl}piperazin-1-Yl)ethanone
CID 49859752
1-(4-benzoylpiperazin-1-yl)-2-[4-[3-(4-methoxyphenyl)pyrazol-1-yl]-5H-pyrrolo[3,2-d]pyrimidin-7-yl]ethane-1,2-dione
CID 25024302
2-(4-methoxyphenyl)-1-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]ethanone
CID 53320947
(4-methoxyphenyl)(1-propyl-1H-benzimidazol-2-yl)methanone
CID 711823
2-[4-(1-Ethyl-1H-benzoimidazol-2-yl)-piperazin-1-yl]-1-(4-methoxy-phenyl)-ethanone
CID 645045
2-(5-Benzoimidazol-1-ylmethyl-[1,3,4]oxadiazol-2-ylsulfanyl)-1-(4-methoxy-phenyl)-ethanone
CID 649098
N-[3-(1H-imidazol-1-yl)propyl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2871923
N-(3-imidazol-1-ylpropyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 2998727
1-{1-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-benzimidazol-2-yl}-3-phenyl-2-propen-1-one
CID 5832237
4-methoxy-N-[1-methyl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]benzamide
CID 6484093
2-(2-Benzoylbenzimidazol-1-yl)-1-(4-methoxyphenyl)ethanone
CID 45029092
2-[2-(4-Methoxybenzoyl)benzimidazol-1-yl]-1-(4-methoxyphenyl)ethanone
CID 45029094

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-aminopyrazol-1-yl)benzimidazol-1-yl]-1-(4-methoxyphenyl)ethanone?
The IUPAC name of 2-[2-(5-aminopyrazol-1-yl)benzimidazol-1-yl]-1-(4-methoxyphenyl)ethanone (CID 67166740) is 2-[2-(5-aminopyrazol-1-yl)benzimidazol-1-yl]-1-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-[2-(5-aminopyrazol-1-yl)benzimidazol-1-yl]-1-(4-methoxyphenyl)ethanone?
The canonical SMILES for 2-[2-(5-aminopyrazol-1-yl)benzimidazol-1-yl]-1-(4-methoxyphenyl)ethanone is COc1ccc(C(=O)Cn2c(-n3nccc3N)nc3ccccc32)cc1.
What is the InChIKey of 2-[2-(5-aminopyrazol-1-yl)benzimidazol-1-yl]-1-(4-methoxyphenyl)ethanone?
The InChIKey is CCINIUCAMDYOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-26-14-8-6-13(7-9-14)17(25)12-23-16-5-3-2-4-15(16)22-19(23)24-18(20)10-11-21-24/h2-11H,12,20H2,1H3.
What are the key properties of 2-[2-(5-aminopyrazol-1-yl)benzimidazol-1-yl]-1-(4-methoxyphenyl)ethanone?
2-[2-(5-aminopyrazol-1-yl)benzimidazol-1-yl]-1-(4-methoxyphenyl)ethanone has a molecular weight of 347.38 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-aminopyrazol-1-yl)benzimidazol-1-yl]-1-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 67166740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).