3-(1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]pentan-1-one

C27H32N4O — CID 157392846

IUPAC3-(1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]pentan-1-one
SMILESCCC(CC(=O)C1CCN(Cc2c[nH]c3ccc(C)cc23)CC1)c1nc2ccccc2[nH]1
InChIInChI=1S/C27H32N4O/c1-3-19(27-29-24-6-4-5-7-25(24)30-27)15-26(32)20-10-12-31(13-11-20)17-21-16-28-23-9-8-18(2)14-22(21)23/h4-9,14,16,19-20,28H,3,10-13,15,17H2,1-2H3,(H,29,30)
InChIKeyCNOSXFKZXPFJDB-UHFFFAOYSA-N
MW428.58 g/mol
LogP5.72
Rot. Bonds7

About 3-(1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]pentan-1-one

3-(1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]pentan-1-one (PubChem CID 157392846) has the molecular formula C27H32N4O and a molecular weight of 428.58 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]pentan-1-one.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]pentan-1-one
PubChem CID157392846
Molecular FormulaC27H32N4O
Molecular Weight428.58 g/mol
Exact Mass428.26
IUPAC Name3-(1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]pentan-1-one
SMILESCCC(CC(=O)C1CCN(Cc2c[nH]c3ccc(C)cc23)CC1)c1nc2ccccc2[nH]1
InChIInChI=1S/C27H32N4O/c1-3-19(27-29-24-6-4-5-7-25(24)30-27)15-26(32)20-10-12-31(13-11-20)17-21-16-28-23-9-8-18(2)14-22(21)23/h4-9,14,16,19-20,28H,3,10-13,15,17H2,1-2H3,(H,29,30)
InChIKeyCNOSXFKZXPFJDB-UHFFFAOYSA-N
XLogP5.72
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.58
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]pentan-1-one with MolForge

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Related Compounds

N-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]-1-[[5-(trifluoromethyl)-1H-indol-3-yl]methyl]piperidine-4-carboxamide
CID 155249406
ethyl (2S)-2-[[1-(1H-indol-3-ylmethyl)piperidine-4-carbonyl]amino]propanoate;hydrochloride
CID 24832876
5-methyl-3-(piperazin-1-ylmethyl)-1H-indole
CID 82277559
N-(1H-benzimidazol-2-ylmethyl)-4-[(5-chloro-1H-indol-3-yl)methyl]piperazine-1-carboxamide
CID 147390716
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-1-[(5-chloro-1H-indol-3-yl)methyl]piperidine-4-carboxamide
CID 147061813
1-[1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl]-3-(1H-imidazol-2-yl)propan-1-one
CID 159101512
N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(5-methyl-1H-indol-3-yl)acetamide
CID 143148058
3-(1,4-diazepan-1-ylmethyl)-5-methyl-1H-indole
CID 82497500
N-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 94494989
2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 112769978
2-cyclohexyl-7-[(5-methyl-1H-indol-3-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135866680
1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]piperidine-4-carboxamide
CID 50781229

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]pentan-1-one?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]pentan-1-one (CID 157392846) is 3-(1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]pentan-1-one.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]pentan-1-one?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]pentan-1-one is CCC(CC(=O)C1CCN(Cc2c[nH]c3ccc(C)cc23)CC1)c1nc2ccccc2[nH]1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]pentan-1-one?
The InChIKey is CNOSXFKZXPFJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O/c1-3-19(27-29-24-6-4-5-7-25(24)30-27)15-26(32)20-10-12-31(13-11-20)17-21-16-28-23-9-8-18(2)14-22(21)23/h4-9,14,16,19-20,28H,3,10-13,15,17H2,1-2H3,(H,29,30).
What are the key properties of 3-(1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]pentan-1-one?
3-(1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]pentan-1-one has a molecular weight of 428.58 g/mol, XLogP of 5.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]pentan-1-one is sourced from PubChem (CID 157392846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).