2-(2-cyclopropylbenzimidazol-1-yl)-1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone

C19H21N5O2 — CID 74231557

IUPAC2-(2-cyclopropylbenzimidazol-1-yl)-1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone
SMILESO=C(Cn1c(C2CC2)nc2ccccc21)N1Cc2cnn(CCO)c2C1
InChIInChI=1S/C19H21N5O2/c25-8-7-24-17-11-22(10-14(17)9-20-24)18(26)12-23-16-4-2-1-3-15(16)21-19(23)13-5-6-13/h1-4,9,13,25H,5-8,10-12H2
InChIKeyZHIQKMOEDSDUHM-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.64
Rot. Bonds5

About 2-(2-cyclopropylbenzimidazol-1-yl)-1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone

2-(2-cyclopropylbenzimidazol-1-yl)-1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone (PubChem CID 74231557) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-(2-cyclopropylbenzimidazol-1-yl)-1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone.

Molecular Properties

Compound Name2-(2-cyclopropylbenzimidazol-1-yl)-1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone
PubChem CID74231557
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name2-(2-cyclopropylbenzimidazol-1-yl)-1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone
SMILESO=C(Cn1c(C2CC2)nc2ccccc21)N1Cc2cnn(CCO)c2C1
InChIInChI=1S/C19H21N5O2/c25-8-7-24-17-11-22(10-14(17)9-20-24)18(26)12-23-16-4-2-1-3-15(16)21-19(23)13-5-6-13/h1-4,9,13,25H,5-8,10-12H2
InChIKeyZHIQKMOEDSDUHM-UHFFFAOYSA-N
XLogP1.64
TPSA76.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(azepan-1-yl)-2-(2-cyclohexylbenzimidazol-1-yl)ethanone
CID 16996658
2-(2-cyclohexylbenzimidazol-1-yl)-1-piperidin-1-ylethanone
CID 16996660
3-(2-cyclopropylbenzimidazol-1-yl)propanoic acid
CID 28752852
2-(2-cyclopropylbenzimidazol-1-yl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 16996738
2-(2-cyclopropylbenzimidazol-1-yl)-1-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]ethanone
CID 135109285
2-(2-cyclopropylbenzimidazol-1-yl)-1-[(3R)-3-ethoxypiperidin-1-yl]ethanone
CID 95283403
N-(2-chlorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide
CID 17028771
1-[(3aS,7aR)-3a-(hydroxymethyl)-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-2-yl]-2-(2-cyclopropylbenzimidazol-1-yl)ethanone
CID 154811689
2-(2-cyclopropylbenzimidazol-1-yl)-N-propylacetamide
CID 17028756
2-(2-cyclopropylbenzimidazol-1-yl)-N-(2-ethylphenyl)acetamide
CID 17028774
2-(2-cyclopropylbenzimidazol-1-yl)-1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethanone
CID 135104687
2-(2-cyclopropylbenzimidazol-1-yl)-1-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
CID 39781741

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylbenzimidazol-1-yl)-1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone?
The IUPAC name of 2-(2-cyclopropylbenzimidazol-1-yl)-1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone (CID 74231557) is 2-(2-cyclopropylbenzimidazol-1-yl)-1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone.
What is the SMILES notation for 2-(2-cyclopropylbenzimidazol-1-yl)-1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone?
The canonical SMILES for 2-(2-cyclopropylbenzimidazol-1-yl)-1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone is O=C(Cn1c(C2CC2)nc2ccccc21)N1Cc2cnn(CCO)c2C1.
What is the InChIKey of 2-(2-cyclopropylbenzimidazol-1-yl)-1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone?
The InChIKey is ZHIQKMOEDSDUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c25-8-7-24-17-11-22(10-14(17)9-20-24)18(26)12-23-16-4-2-1-3-15(16)21-19(23)13-5-6-13/h1-4,9,13,25H,5-8,10-12H2.
What are the key properties of 2-(2-cyclopropylbenzimidazol-1-yl)-1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone?
2-(2-cyclopropylbenzimidazol-1-yl)-1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone has a molecular weight of 351.41 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylbenzimidazol-1-yl)-1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone is sourced from PubChem (CID 74231557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).