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

C23H24N6O2 — CID 154833724

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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Related Compounds

3,4-dihydro-1H-isoquinolin-2-yl-(2-methyl-1H-benzimidazol-4-yl)methanone
CID 110701020
[4-(furan-2-carbonyl)piperazin-1-yl]-(2-methyl-1H-benzimidazol-4-yl)methanone
CID 110701048
[4-(4-fluorophenyl)piperazin-1-yl]-(2-methyl-1H-benzimidazol-4-yl)methanone
CID 110701031
1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[(2-methyl-1H-benzimidazol-4-yl)oxy]propan-1-one
CID 75116788
(2-methyl-1H-benzimidazol-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 110701045
(2-methyl-1H-benzimidazol-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 110701133
[2-(hydroxymethyl)-1H-benzimidazol-4-yl]-(2-methyl-4-pyridin-4-ylpiperazin-1-yl)methanone
CID 167890769
(4aR,8aS)-6-(2-methyl-1H-benzimidazole-4-carbonyl)-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 164630375
2-[3-[1-(2-methyl-1H-benzimidazole-4-carbonyl)piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid
CID 56721249
(2S,4S)-4-amino-N,N-diethyl-1-(2-methyl-1H-benzimidazole-4-carbonyl)pyrrolidine-2-carboxamide
CID 56701462
4-ethyl-2-methyl-5-[1-(2-methyl-1H-benzimidazole-4-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 56717417
4-methyl-5-[(3S)-3-methyl-4-(4-methyl-6-oxo-1H-pyridine-3-carbonyl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 127464891

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).