N-[1-(2-methoxyethyl)-7-[(2R)-2-(2-methoxyethyl)piperidine-1-carbonyl]benzimidazol-5-yl]cyclohexanecarboxamide

C26H38N4O4 — CID 42432476

IUPACN-[1-(2-methoxyethyl)-7-[(2R)-2-(2-methoxyethyl)piperidine-1-carbonyl]benzimidazol-5-yl]cyclohexanecarboxamide
SMILESCOCC[C@H]1CCCCN1C(=O)c1cc(NC(=O)C2CCCCC2)cc2ncn(CCOC)c12
InChIInChI=1S/C26H38N4O4/c1-33-14-11-21-10-6-7-12-30(21)26(32)22-16-20(28-25(31)19-8-4-3-5-9-19)17-23-24(22)29(18-27-23)13-15-34-2/h16-19,21H,3-15H2,1-2H3,(H,28,31)/t21-/m1/s1
InChIKeyZUPPRKUFEWSZPE-OAQYLSRUSA-N
MW470.61 g/mol
LogP4.23
Rot. Bonds9

About N-[1-(2-methoxyethyl)-7-[(2R)-2-(2-methoxyethyl)piperidine-1-carbonyl]benzimidazol-5-yl]cyclohexanecarboxamide

N-[1-(2-methoxyethyl)-7-[(2R)-2-(2-methoxyethyl)piperidine-1-carbonyl]benzimidazol-5-yl]cyclohexanecarboxamide (PubChem CID 42432476) has the molecular formula C26H38N4O4 and a molecular weight of 470.61 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)-7-[(2R)-2-(2-methoxyethyl)piperidine-1-carbonyl]benzimidazol-5-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)-7-[(2R)-2-(2-methoxyethyl)piperidine-1-carbonyl]benzimidazol-5-yl]cyclohexanecarboxamide
PubChem CID42432476
Molecular FormulaC26H38N4O4
Molecular Weight470.61 g/mol
Exact Mass470.29
IUPAC NameN-[1-(2-methoxyethyl)-7-[(2R)-2-(2-methoxyethyl)piperidine-1-carbonyl]benzimidazol-5-yl]cyclohexanecarboxamide
SMILESCOCC[C@H]1CCCCN1C(=O)c1cc(NC(=O)C2CCCCC2)cc2ncn(CCOC)c12
InChIInChI=1S/C26H38N4O4/c1-33-14-11-21-10-6-7-12-30(21)26(32)22-16-20(28-25(31)19-8-4-3-5-9-19)17-23-24(22)29(18-27-23)13-15-34-2/h16-19,21H,3-15H2,1-2H3,(H,28,31)/t21-/m1/s1
InChIKeyZUPPRKUFEWSZPE-OAQYLSRUSA-N
XLogP4.23
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.61
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2-methoxyethyl)-7-[(2S)-2-methylpiperidine-1-carbonyl]benzimidazol-5-yl]cyclohexanecarboxamide
CID 42485139
N-[1-(2-methoxyethyl)-7-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzimidazol-5-yl]cyclohexanecarboxamide
CID 42432337
N-[(4-chlorophenyl)methyl]-6-(cyclohexanecarbonylamino)-3-(2-methoxyethyl)benzimidazole-4-carboxamide
CID 42484927
6-(cyclohexanecarbonylamino)-3-(2-methoxyethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]benzimidazole-4-carboxamide
CID 45173849
[(2S)-2-(azepan-1-ylmethyl)piperidin-1-yl]-[1-(2-methoxyethyl)benzimidazol-5-yl]methanone
CID 92611389
[3-(difluoromethyl)-1-methylpyrazol-4-yl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 71811402
7-[(2R)-2-(3-methoxypropyl)piperidine-1-carbonyl]-3-methylquinazolin-4-one
CID 97144465
N-[6-(2-methoxyethylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 113010320
[2-(2-aminoethyl)piperidin-1-yl]-[1-(2-methoxyethyl)pyrrol-2-yl]methanone
CID 114610328
N-[3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]cyclohexanecarboxamide;hydrochloride
CID 119651472
N-[2-cyclobutyl-1-methyl-7-[2-(1-methylimidazol-2-yl)piperidine-1-carbonyl]benzimidazol-5-yl]-2-methoxyacetamide
CID 45225986
N-cycloheptyl-3-[(4-fluorophenyl)methyl]-6-[(2-methoxyacetyl)amino]benzimidazole-4-carboxamide
CID 42170685

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)-7-[(2R)-2-(2-methoxyethyl)piperidine-1-carbonyl]benzimidazol-5-yl]cyclohexanecarboxamide?
The IUPAC name of N-[1-(2-methoxyethyl)-7-[(2R)-2-(2-methoxyethyl)piperidine-1-carbonyl]benzimidazol-5-yl]cyclohexanecarboxamide (CID 42432476) is N-[1-(2-methoxyethyl)-7-[(2R)-2-(2-methoxyethyl)piperidine-1-carbonyl]benzimidazol-5-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-(2-methoxyethyl)-7-[(2R)-2-(2-methoxyethyl)piperidine-1-carbonyl]benzimidazol-5-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-(2-methoxyethyl)-7-[(2R)-2-(2-methoxyethyl)piperidine-1-carbonyl]benzimidazol-5-yl]cyclohexanecarboxamide is COCC[C@H]1CCCCN1C(=O)c1cc(NC(=O)C2CCCCC2)cc2ncn(CCOC)c12.
What is the InChIKey of N-[1-(2-methoxyethyl)-7-[(2R)-2-(2-methoxyethyl)piperidine-1-carbonyl]benzimidazol-5-yl]cyclohexanecarboxamide?
The InChIKey is ZUPPRKUFEWSZPE-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H38N4O4/c1-33-14-11-21-10-6-7-12-30(21)26(32)22-16-20(28-25(31)19-8-4-3-5-9-19)17-23-24(22)29(18-27-23)13-15-34-2/h16-19,21H,3-15H2,1-2H3,(H,28,31)/t21-/m1/s1.
What are the key properties of N-[1-(2-methoxyethyl)-7-[(2R)-2-(2-methoxyethyl)piperidine-1-carbonyl]benzimidazol-5-yl]cyclohexanecarboxamide?
N-[1-(2-methoxyethyl)-7-[(2R)-2-(2-methoxyethyl)piperidine-1-carbonyl]benzimidazol-5-yl]cyclohexanecarboxamide has a molecular weight of 470.61 g/mol, XLogP of 4.23, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethyl)-7-[(2R)-2-(2-methoxyethyl)piperidine-1-carbonyl]benzimidazol-5-yl]cyclohexanecarboxamide is sourced from PubChem (CID 42432476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).