cyclopent-3-en-1-yl-[2-(1-methylbenzimidazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone

C20H24N4O — CID 154830679

IUPACcyclopent-3-en-1-yl-[2-(1-methylbenzimidazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
SMILESCn1c(N2CC3CN(C(=O)C4CC=CC4)CC3C2)nc2ccccc21
InChIInChI=1S/C20H24N4O/c1-22-18-9-5-4-8-17(18)21-20(22)24-12-15-10-23(11-16(15)13-24)19(25)14-6-2-3-7-14/h2-5,8-9,14-16H,6-7,10-13H2,1H3
InChIKeyZBKHLSOUQLPDFQ-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.43
Rot. Bonds2

About cyclopent-3-en-1-yl-[2-(1-methylbenzimidazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone

cyclopent-3-en-1-yl-[2-(1-methylbenzimidazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone (PubChem CID 154830679) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is cyclopent-3-en-1-yl-[2-(1-methylbenzimidazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone.

Molecular Properties

Compound Namecyclopent-3-en-1-yl-[2-(1-methylbenzimidazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
PubChem CID154830679
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Namecyclopent-3-en-1-yl-[2-(1-methylbenzimidazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
SMILESCn1c(N2CC3CN(C(=O)C4CC=CC4)CC3C2)nc2ccccc21
InChIInChI=1S/C20H24N4O/c1-22-18-9-5-4-8-17(18)21-20(22)24-12-15-10-23(11-16(15)13-24)19(25)14-6-2-3-7-14/h2-5,8-9,14-16H,6-7,10-13H2,1H3
InChIKeyZBKHLSOUQLPDFQ-UHFFFAOYSA-N
XLogP2.43
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3,3-difluorocyclobutyl)-[2-(1-methylbenzimidazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
CID 154581342
[1-(1-methylbenzimidazol-2-yl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 166603413
cyclopropyl-[4-(1-methylbenzimidazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 165435392
1-methyl-2-[5-(2-methylpropylsulfonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]benzimidazole
CID 154581406
2-[3-(difluoromethyl)azetidin-1-yl]-1-methylbenzimidazole
CID 122270125
2-[5-(2-methoxyphenyl)sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-methylbenzimidazole
CID 154581614
(2-methylpyrazol-3-yl)-[2-(1-propan-2-ylbenzimidazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
CID 154883766
2-(1-methylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid
CID 60792986
3,5-dimethyl-4-[[2-(1-methylbenzimidazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]sulfonyl]-1,2-oxazole
CID 154581532
[(1S)-cyclohex-3-en-1-yl]-[(2S)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 94571162
[(1S)-cyclohex-3-en-1-yl]-[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 94571163
(1-methylbenzimidazol-2-yl)-piperidin-1-ylmethanone
CID 110469012

Frequently Asked Questions

What is the IUPAC name of cyclopent-3-en-1-yl-[2-(1-methylbenzimidazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone?
The IUPAC name of cyclopent-3-en-1-yl-[2-(1-methylbenzimidazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone (CID 154830679) is cyclopent-3-en-1-yl-[2-(1-methylbenzimidazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone.
What is the SMILES notation for cyclopent-3-en-1-yl-[2-(1-methylbenzimidazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone?
The canonical SMILES for cyclopent-3-en-1-yl-[2-(1-methylbenzimidazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone is Cn1c(N2CC3CN(C(=O)C4CC=CC4)CC3C2)nc2ccccc21.
What is the InChIKey of cyclopent-3-en-1-yl-[2-(1-methylbenzimidazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone?
The InChIKey is ZBKHLSOUQLPDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-22-18-9-5-4-8-17(18)21-20(22)24-12-15-10-23(11-16(15)13-24)19(25)14-6-2-3-7-14/h2-5,8-9,14-16H,6-7,10-13H2,1H3.
What are the key properties of cyclopent-3-en-1-yl-[2-(1-methylbenzimidazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone?
cyclopent-3-en-1-yl-[2-(1-methylbenzimidazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone has a molecular weight of 336.44 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopent-3-en-1-yl-[2-(1-methylbenzimidazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone is sourced from PubChem (CID 154830679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).