N-[1-(2-methoxyethyl)-7-[(2S)-2-methylpiperidine-1-carbonyl]benzimidazol-5-yl]cyclohexanecarboxamide

C24H34N4O3 — CID 42485139

IUPACN-[1-(2-methoxyethyl)-7-[(2S)-2-methylpiperidine-1-carbonyl]benzimidazol-5-yl]cyclohexanecarboxamide
SMILESCOCCn1cnc2cc(NC(=O)C3CCCCC3)cc(C(=O)N3CCCC[C@@H]3C)c21
InChIInChI=1S/C24H34N4O3/c1-17-8-6-7-11-28(17)24(30)20-14-19(26-23(29)18-9-4-3-5-10-18)15-21-22(20)27(16-25-21)12-13-31-2/h14-18H,3-13H2,1-2H3,(H,26,29)/t17-/m0/s1
InChIKeyGSHLJUHVRHWLTH-KRWDZBQOSA-N
MW426.56 g/mol
LogP4.22
Rot. Bonds6

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

N-[1-(2-methoxyethyl)-7-[(2S)-2-methylpiperidine-1-carbonyl]benzimidazol-5-yl]cyclohexanecarboxamide (PubChem CID 42485139) has the molecular formula C24H34N4O3 and a molecular weight of 426.56 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)-7-[(2S)-2-methylpiperidine-1-carbonyl]benzimidazol-5-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)-7-[(2S)-2-methylpiperidine-1-carbonyl]benzimidazol-5-yl]cyclohexanecarboxamide
PubChem CID42485139
Molecular FormulaC24H34N4O3
Molecular Weight426.56 g/mol
Exact Mass426.26
IUPAC NameN-[1-(2-methoxyethyl)-7-[(2S)-2-methylpiperidine-1-carbonyl]benzimidazol-5-yl]cyclohexanecarboxamide
SMILESCOCCn1cnc2cc(NC(=O)C3CCCCC3)cc(C(=O)N3CCCC[C@@H]3C)c21
InChIInChI=1S/C24H34N4O3/c1-17-8-6-7-11-28(17)24(30)20-14-19(26-23(29)18-9-4-3-5-10-18)15-21-22(20)27(16-25-21)12-13-31-2/h14-18H,3-13H2,1-2H3,(H,26,29)/t17-/m0/s1
InChIKeyGSHLJUHVRHWLTH-KRWDZBQOSA-N
XLogP4.22
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-methoxyethyl)-7-[(2R)-2-(2-methoxyethyl)piperidine-1-carbonyl]benzimidazol-5-yl]cyclohexanecarboxamide
CID 42432476
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
2-(2-methoxyethyl)-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one
CID 47020029
N-[6-(2-methoxyethylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 113010320
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
[3-amino-1-(2-fluoroethyl)pyrazol-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 146680633
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]cyclopentanecarboxamide
CID 91774846
(2R)-1-(cyclohexanecarbonyl)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidine-2-carboxamide
CID 94604782
3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119713029

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)-7-[(2S)-2-methylpiperidine-1-carbonyl]benzimidazol-5-yl]cyclohexanecarboxamide?
The IUPAC name of N-[1-(2-methoxyethyl)-7-[(2S)-2-methylpiperidine-1-carbonyl]benzimidazol-5-yl]cyclohexanecarboxamide (CID 42485139) is N-[1-(2-methoxyethyl)-7-[(2S)-2-methylpiperidine-1-carbonyl]benzimidazol-5-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-(2-methoxyethyl)-7-[(2S)-2-methylpiperidine-1-carbonyl]benzimidazol-5-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-(2-methoxyethyl)-7-[(2S)-2-methylpiperidine-1-carbonyl]benzimidazol-5-yl]cyclohexanecarboxamide is COCCn1cnc2cc(NC(=O)C3CCCCC3)cc(C(=O)N3CCCC[C@@H]3C)c21.
What is the InChIKey of N-[1-(2-methoxyethyl)-7-[(2S)-2-methylpiperidine-1-carbonyl]benzimidazol-5-yl]cyclohexanecarboxamide?
The InChIKey is GSHLJUHVRHWLTH-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H34N4O3/c1-17-8-6-7-11-28(17)24(30)20-14-19(26-23(29)18-9-4-3-5-10-18)15-21-22(20)27(16-25-21)12-13-31-2/h14-18H,3-13H2,1-2H3,(H,26,29)/t17-/m0/s1.
What are the key properties of N-[1-(2-methoxyethyl)-7-[(2S)-2-methylpiperidine-1-carbonyl]benzimidazol-5-yl]cyclohexanecarboxamide?
N-[1-(2-methoxyethyl)-7-[(2S)-2-methylpiperidine-1-carbonyl]benzimidazol-5-yl]cyclohexanecarboxamide has a molecular weight of 426.56 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethyl)-7-[(2S)-2-methylpiperidine-1-carbonyl]benzimidazol-5-yl]cyclohexanecarboxamide is sourced from PubChem (CID 42485139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).