[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-dimethyl-1H-indol-2-yl)methanone

C23H24N4O — CID 70769742

IUPAC[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-dimethyl-1H-indol-2-yl)methanone
SMILESCc1ccc2[nH]c(C(=O)N3CCCC(c4nc5ccccc5[nH]4)C3)c(C)c2c1
InChIInChI=1S/C23H24N4O/c1-14-9-10-18-17(12-14)15(2)21(24-18)23(28)27-11-5-6-16(13-27)22-25-19-7-3-4-8-20(19)26-22/h3-4,7-10,12,16,24H,5-6,11,13H2,1-2H3,(H,25,26)
InChIKeyHYYCHVKLWDZAFH-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.68
Rot. Bonds2

About [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-dimethyl-1H-indol-2-yl)methanone

[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-dimethyl-1H-indol-2-yl)methanone (PubChem CID 70769742) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-dimethyl-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-dimethyl-1H-indol-2-yl)methanone
PubChem CID70769742
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-dimethyl-1H-indol-2-yl)methanone
SMILESCc1ccc2[nH]c(C(=O)N3CCCC(c4nc5ccccc5[nH]4)C3)c(C)c2c1
InChIInChI=1S/C23H24N4O/c1-14-9-10-18-17(12-14)15(2)21(24-18)23(28)27-11-5-6-16(13-27)22-25-19-7-3-4-8-20(19)26-22/h3-4,7-10,12,16,24H,5-6,11,13H2,1-2H3,(H,25,26)
InChIKeyHYYCHVKLWDZAFH-UHFFFAOYSA-N
XLogP4.68
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-methylphenyl)methanone
CID 25352744
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(6-methyl-1,2,4-benzotriazin-3-yl)methanone
CID 91946798
3-(1H-benzimidazol-2-yl)-N-(3-methylphenyl)piperidine-1-carboxamide
CID 44754575
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 46509091
(2S)-2-amino-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 66785121
(3S)-3-amino-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 66791506
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone
CID 95897770
methyl 3-(1H-benzimidazol-2-yl)piperidine-1-carboxylate
CID 110404102
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 51327259
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2,6-dimethoxyphenyl)methanone
CID 110404095
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 51477839
3-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2H-isoquinolin-1-one
CID 24675834

Frequently Asked Questions

What is the IUPAC name of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-dimethyl-1H-indol-2-yl)methanone?
The IUPAC name of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-dimethyl-1H-indol-2-yl)methanone (CID 70769742) is [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-dimethyl-1H-indol-2-yl)methanone.
What is the SMILES notation for [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-dimethyl-1H-indol-2-yl)methanone?
The canonical SMILES for [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-dimethyl-1H-indol-2-yl)methanone is Cc1ccc2[nH]c(C(=O)N3CCCC(c4nc5ccccc5[nH]4)C3)c(C)c2c1.
What is the InChIKey of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-dimethyl-1H-indol-2-yl)methanone?
The InChIKey is HYYCHVKLWDZAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-14-9-10-18-17(12-14)15(2)21(24-18)23(28)27-11-5-6-16(13-27)22-25-19-7-3-4-8-20(19)26-22/h3-4,7-10,12,16,24H,5-6,11,13H2,1-2H3,(H,25,26).
What are the key properties of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-dimethyl-1H-indol-2-yl)methanone?
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-dimethyl-1H-indol-2-yl)methanone has a molecular weight of 372.47 g/mol, XLogP of 4.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-dimethyl-1H-indol-2-yl)methanone is sourced from PubChem (CID 70769742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).