(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

C21H26N6O — CID 154883766

IUPAC(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
SMILESCC(C)n1c(N2CC3CN(C(=O)c4ccnn4C)CC3C2)nc2ccccc21
InChIInChI=1S/C21H26N6O/c1-14(2)27-18-7-5-4-6-17(18)23-21(27)26-12-15-10-25(11-16(15)13-26)20(28)19-8-9-22-24(19)3/h4-9,14-16H,10-13H2,1-3H3
InChIKeySCATZLABKJXHDO-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.56
Rot. Bonds3

About (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

(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 (PubChem CID 154883766) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID154883766
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name(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
SMILESCC(C)n1c(N2CC3CN(C(=O)c4ccnn4C)CC3C2)nc2ccccc21
InChIInChI=1S/C21H26N6O/c1-14(2)27-18-7-5-4-6-17(18)23-21(27)26-12-15-10-25(11-16(15)13-26)20(28)19-8-9-22-24(19)3/h4-9,14-16H,10-13H2,1-3H3
InChIKeySCATZLABKJXHDO-UHFFFAOYSA-N
XLogP2.56
TPSA59.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (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 with MolForge

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Related Compounds

1-propan-2-yl-2-[5-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]benzimidazole
CID 154883849
(3,3-difluorocyclobutyl)-[2-(1-methylbenzimidazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
CID 154581342
[4-(1-benzylbenzimidazol-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 46375672
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
1-propan-2-yl-2-pyrrolidin-1-ylbenzimidazole
CID 10105231
1-methyl-2-[5-(2-methylpropylsulfonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]benzimidazole
CID 154581406
2-piperazin-1-yl-1-propan-2-ylbenzimidazole
CID 22636223
[(5aS,8aS)-4-pyrimidin-2-yl-3,5,5a,6,8,8a-hexahydro-2H-pyrrolo[3,4-f][1,4]oxazepin-7-yl]-(2-methylpyrazol-3-yl)methanone
CID 131680394
1-(2-methylpyrazole-3-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918339
(2-methylpyrazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
CID 1219801
(2-methylpyrazol-3-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone
CID 91921429
(3R)-1-(2-methylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 94917576

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(C)n1c(N2CC3CN(C(=O)c4ccnn4C)CC3C2)nc2ccccc21.
What is the InChIKey of (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?
The InChIKey is SCATZLABKJXHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-14(2)27-18-7-5-4-6-17(18)23-21(27)26-12-15-10-25(11-16(15)13-26)20(28)19-8-9-22-24(19)3/h4-9,14-16H,10-13H2,1-3H3.
What are the key properties of (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?
(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 has a molecular weight of 378.48 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 154883766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).