4-nitro-N-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]cyclohexyl]benzamide

C26H31N5O4 — CID 67741876

IUPAC4-nitro-N-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]cyclohexyl]benzamide
SMILESO=C(NC1CCC(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C26H31N5O4/c32-25(19-7-11-22(12-8-19)31(34)35)27-20-9-5-18(6-10-20)17-29-15-13-21(14-16-29)30-24-4-2-1-3-23(24)28-26(30)33/h1-4,7-8,11-12,18,20-21H,5-6,9-10,13-17H2,(H,27,32)(H,28,33)
InChIKeyUGWKLRLGNLXPDY-UHFFFAOYSA-N
MW477.57 g/mol
LogP3.86
Rot. Bonds6

About 4-nitro-N-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]cyclohexyl]benzamide

4-nitro-N-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]cyclohexyl]benzamide (PubChem CID 67741876) has the molecular formula C26H31N5O4 and a molecular weight of 477.57 g/mol. Its IUPAC name is 4-nitro-N-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]cyclohexyl]benzamide.

Molecular Properties

Compound Name4-nitro-N-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]cyclohexyl]benzamide
PubChem CID67741876
Molecular FormulaC26H31N5O4
Molecular Weight477.57 g/mol
Exact Mass477.24
IUPAC Name4-nitro-N-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]cyclohexyl]benzamide
SMILESO=C(NC1CCC(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C26H31N5O4/c32-25(19-7-11-22(12-8-19)31(34)35)27-20-9-5-18(6-10-20)17-29-15-13-21(14-16-29)30-24-4-2-1-3-23(24)28-26(30)33/h1-4,7-8,11-12,18,20-21H,5-6,9-10,13-17H2,(H,27,32)(H,28,33)
InChIKeyUGWKLRLGNLXPDY-UHFFFAOYSA-N
XLogP3.86
TPSA113.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-nitro-N-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]cyclohexyl]benzamide with MolForge

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Related Compounds

N-[2-(4-nitrophenyl)ethyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbothioamide
CID 20605904
N-(2-nitrophenyl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
CID 23373391
2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
CID 57054370
3-[1-[[3-(aminomethyl)cyclohexyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968406
3,4-dichloro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
CID 25105699
3-[1-[(2-methylcyclopropyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968394
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-4-nitrobenzamide
CID 55753843
N,1-dicyclohexyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 3232123
2-chloro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
CID 21428921
[(2S)-2-[benzyl-[(4-nitrophenyl)methyl]amino]propyl] 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 67178410
2-[benzyl-[(4-nitrophenyl)methyl]amino]propyl 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 59547690
N,N-dimethyl-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide
CID 51078345

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]cyclohexyl]benzamide?
The IUPAC name of 4-nitro-N-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]cyclohexyl]benzamide (CID 67741876) is 4-nitro-N-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]cyclohexyl]benzamide.
What is the SMILES notation for 4-nitro-N-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]cyclohexyl]benzamide?
The canonical SMILES for 4-nitro-N-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]cyclohexyl]benzamide is O=C(NC1CCC(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-nitro-N-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]cyclohexyl]benzamide?
The InChIKey is UGWKLRLGNLXPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O4/c32-25(19-7-11-22(12-8-19)31(34)35)27-20-9-5-18(6-10-20)17-29-15-13-21(14-16-29)30-24-4-2-1-3-23(24)28-26(30)33/h1-4,7-8,11-12,18,20-21H,5-6,9-10,13-17H2,(H,27,32)(H,28,33).
What are the key properties of 4-nitro-N-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]cyclohexyl]benzamide?
4-nitro-N-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]cyclohexyl]benzamide has a molecular weight of 477.57 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]cyclohexyl]benzamide is sourced from PubChem (CID 67741876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).