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(2-methyl-1H-benzimidazol-4-yl)-[3-methyl-4-(2-methyl-1H-benzimidazole-4-carbonyl)piperazin-1-yl]methanone

C23H24N6O2 — CID 154833724

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(2-methyl-1H-benzimidazol-4-yl)-[3-methyl-4-(2-methyl-1H-benzimidazole-4-carbonyl)piperazin-1-yl]methanone
SMILESCc1nc2c(C(=O)N3CCN(C(=O)c4cccc5[nH]c(C)nc45)C(C)C3)cccc2[nH]1
InChIInChI=1S/C23H24N6O2/c1-13-12-28(22(30)16-6-4-8-18-20(16)26-14(2)24-18)10-11-29(13)23(31)17-7-5-9-19-21(17)27-15(3)25-19/h4-9,13H,10-12H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyCFSAMBMOFCBOLD-UHFFFAOYSA-N
MW416.49 g/mol
LogP3.04
Rot. Bonds2

About (2-methyl-1H-benzimidazol-4-yl)-[3-methyl-4-(2-methyl-1H-benzimidazole-4-carbonyl)piperazin-1-yl]methanone

(2-methyl-1H-benzimidazol-4-yl)-[3-methyl-4-(2-methyl-1H-benzimidazole-4-carbonyl)piperazin-1-yl]methanone (PubChem CID 154833724) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is (2-methyl-1H-benzimidazol-4-yl)-[3-methyl-4-(2-methyl-1H-benzimidazole-4-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-methyl-1H-benzimidazol-4-yl)-[3-methyl-4-(2-methyl-1H-benzimidazole-4-carbonyl)piperazin-1-yl]methanone
PubChem CID154833724
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name(2-methyl-1H-benzimidazol-4-yl)-[3-methyl-4-(2-methyl-1H-benzimidazole-4-carbonyl)piperazin-1-yl]methanone
SMILESCc1nc2c(C(=O)N3CCN(C(=O)c4cccc5[nH]c(C)nc45)C(C)C3)cccc2[nH]1
InChIInChI=1S/C23H24N6O2/c1-13-12-28(22(30)16-6-4-8-18-20(16)26-14(2)24-18)10-11-29(13)23(31)17-7-5-9-19-21(17)27-15(3)25-19/h4-9,13H,10-12H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyCFSAMBMOFCBOLD-UHFFFAOYSA-N
XLogP3.04
TPSA97.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-1H-benzimidazol-4-yl)-[3-methyl-4-(2-methyl-1H-benzimidazole-4-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (2-methyl-1H-benzimidazol-4-yl)-[3-methyl-4-(2-methyl-1H-benzimidazole-4-carbonyl)piperazin-1-yl]methanone (CID 154833724) is (2-methyl-1H-benzimidazol-4-yl)-[3-methyl-4-(2-methyl-1H-benzimidazole-4-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-methyl-1H-benzimidazol-4-yl)-[3-methyl-4-(2-methyl-1H-benzimidazole-4-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-methyl-1H-benzimidazol-4-yl)-[3-methyl-4-(2-methyl-1H-benzimidazole-4-carbonyl)piperazin-1-yl]methanone is Cc1nc2c(C(=O)N3CCN(C(=O)c4cccc5[nH]c(C)nc45)C(C)C3)cccc2[nH]1.
What is the InChIKey of (2-methyl-1H-benzimidazol-4-yl)-[3-methyl-4-(2-methyl-1H-benzimidazole-4-carbonyl)piperazin-1-yl]methanone?
The InChIKey is CFSAMBMOFCBOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-13-12-28(22(30)16-6-4-8-18-20(16)26-14(2)24-18)10-11-29(13)23(31)17-7-5-9-19-21(17)27-15(3)25-19/h4-9,13H,10-12H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of (2-methyl-1H-benzimidazol-4-yl)-[3-methyl-4-(2-methyl-1H-benzimidazole-4-carbonyl)piperazin-1-yl]methanone?
(2-methyl-1H-benzimidazol-4-yl)-[3-methyl-4-(2-methyl-1H-benzimidazole-4-carbonyl)piperazin-1-yl]methanone has a molecular weight of 416.49 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1H-benzimidazol-4-yl)-[3-methyl-4-(2-methyl-1H-benzimidazole-4-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 154833724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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