1-(1H-benzimidazol-2-yl)-N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]piperidine-4-carboxamide

C26H32ClN5O — CID 46359001

IUPAC1-(1H-benzimidazol-2-yl)-N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]piperidine-4-carboxamide
SMILESO=C(NCC1CCN(Cc2ccc(Cl)cc2)CC1)C1CCN(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C26H32ClN5O/c27-22-7-5-20(6-8-22)18-31-13-9-19(10-14-31)17-28-25(33)21-11-15-32(16-12-21)26-29-23-3-1-2-4-24(23)30-26/h1-8,19,21H,9-18H2,(H,28,33)(H,29,30)
InChIKeyNLUHFHMVVGGMFI-UHFFFAOYSA-N
MW466.03 g/mol
LogP4.46
Rot. Bonds6

About 1-(1H-benzimidazol-2-yl)-N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]piperidine-4-carboxamide

1-(1H-benzimidazol-2-yl)-N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]piperidine-4-carboxamide (PubChem CID 46359001) has the molecular formula C26H32ClN5O and a molecular weight of 466.03 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yl)-N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-yl)-N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]piperidine-4-carboxamide
PubChem CID46359001
Molecular FormulaC26H32ClN5O
Molecular Weight466.03 g/mol
Exact Mass465.23
IUPAC Name1-(1H-benzimidazol-2-yl)-N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]piperidine-4-carboxamide
SMILESO=C(NCC1CCN(Cc2ccc(Cl)cc2)CC1)C1CCN(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C26H32ClN5O/c27-22-7-5-20(6-8-22)18-31-13-9-19(10-14-31)17-28-25(33)21-11-15-32(16-12-21)26-29-23-3-1-2-4-24(23)30-26/h1-8,19,21H,9-18H2,(H,28,33)(H,29,30)
InChIKeyNLUHFHMVVGGMFI-UHFFFAOYSA-N
XLogP4.46
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.03
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1H-benzimidazol-2-yl)-N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

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1-(1H-benzimidazol-2-yl)-N-(4-methylcyclohexyl)piperidine-4-carboxamide
CID 20882807
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Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-yl)-N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(1H-benzimidazol-2-yl)-N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]piperidine-4-carboxamide (CID 46359001) is 1-(1H-benzimidazol-2-yl)-N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(1H-benzimidazol-2-yl)-N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(1H-benzimidazol-2-yl)-N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]piperidine-4-carboxamide is O=C(NCC1CCN(Cc2ccc(Cl)cc2)CC1)C1CCN(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 1-(1H-benzimidazol-2-yl)-N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]piperidine-4-carboxamide?
The InChIKey is NLUHFHMVVGGMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32ClN5O/c27-22-7-5-20(6-8-22)18-31-13-9-19(10-14-31)17-28-25(33)21-11-15-32(16-12-21)26-29-23-3-1-2-4-24(23)30-26/h1-8,19,21H,9-18H2,(H,28,33)(H,29,30).
What are the key properties of 1-(1H-benzimidazol-2-yl)-N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]piperidine-4-carboxamide?
1-(1H-benzimidazol-2-yl)-N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]piperidine-4-carboxamide has a molecular weight of 466.03 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-yl)-N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 46359001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).