(4,6-dimethyl-1H-indol-2-yl)-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone

C24H26N4O — CID 92626049

IUPAC(4,6-dimethyl-1H-indol-2-yl)-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
SMILESCc1cc(C)c2cc(C(=O)N3CCC[C@H](c4nc5ccccc5n4C)C3)[nH]c2c1
InChIInChI=1S/C24H26N4O/c1-15-11-16(2)18-13-21(25-20(18)12-15)24(29)28-10-6-7-17(14-28)23-26-19-8-4-5-9-22(19)27(23)3/h4-5,8-9,11-13,17,25H,6-7,10,14H2,1-3H3/t17-/m0/s1
InChIKeyPMFXKBHXYWESEW-KRWDZBQOSA-N
MW386.50 g/mol
LogP4.69
Rot. Bonds2

About (4,6-dimethyl-1H-indol-2-yl)-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone

(4,6-dimethyl-1H-indol-2-yl)-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 92626049) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is (4,6-dimethyl-1H-indol-2-yl)-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4,6-dimethyl-1H-indol-2-yl)-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
PubChem CID92626049
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name(4,6-dimethyl-1H-indol-2-yl)-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
SMILESCc1cc(C)c2cc(C(=O)N3CCC[C@H](c4nc5ccccc5n4C)C3)[nH]c2c1
InChIInChI=1S/C24H26N4O/c1-15-11-16(2)18-13-21(25-20(18)12-15)24(29)28-10-6-7-17(14-28)23-26-19-8-4-5-9-22(19)27(23)3/h4-5,8-9,11-13,17,25H,6-7,10,14H2,1-3H3/t17-/m0/s1
InChIKeyPMFXKBHXYWESEW-KRWDZBQOSA-N
XLogP4.69
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4,6-dimethyl-1H-indol-2-yl)-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone
CID 46974543
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
CID 46975714
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-methylphenyl)methanone
CID 91947140
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 91947183
(4,6-dimethyl-1H-indol-2-yl)-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95734831
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(2-methylquinolin-3-yl)methanone
CID 91947009
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 91947190
[(3R)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone
CID 92628235
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 91946961
2-(3,5-dimethylphenoxy)-1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]ethanone
CID 91946926
(4,5-dimethylthiophen-3-yl)-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947084
(4,6-dimethyl-1H-indol-2-yl)-(4-phenylpiperidin-1-yl)methanone
CID 39581120

Frequently Asked Questions

What is the IUPAC name of (4,6-dimethyl-1H-indol-2-yl)-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (4,6-dimethyl-1H-indol-2-yl)-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone (CID 92626049) is (4,6-dimethyl-1H-indol-2-yl)-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4,6-dimethyl-1H-indol-2-yl)-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4,6-dimethyl-1H-indol-2-yl)-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone is Cc1cc(C)c2cc(C(=O)N3CCC[C@H](c4nc5ccccc5n4C)C3)[nH]c2c1.
What is the InChIKey of (4,6-dimethyl-1H-indol-2-yl)-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is PMFXKBHXYWESEW-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H26N4O/c1-15-11-16(2)18-13-21(25-20(18)12-15)24(29)28-10-6-7-17(14-28)23-26-19-8-4-5-9-22(19)27(23)3/h4-5,8-9,11-13,17,25H,6-7,10,14H2,1-3H3/t17-/m0/s1.
What are the key properties of (4,6-dimethyl-1H-indol-2-yl)-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone?
(4,6-dimethyl-1H-indol-2-yl)-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 386.50 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimethyl-1H-indol-2-yl)-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 92626049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).