N-[[1-[2-(3-methoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide

C21H30N4O3 — CID 17029158

IUPACN-[[1-[2-(3-methoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide
SMILESCOCCCNC(=O)Cn1c(CNC(=O)C2CCCCC2)nc2ccccc21
InChIInChI=1S/C21H30N4O3/c1-28-13-7-12-22-20(26)15-25-18-11-6-5-10-17(18)24-19(25)14-23-21(27)16-8-3-2-4-9-16/h5-6,10-11,16H,2-4,7-9,12-15H2,1H3,(H,22,26)(H,23,27)
InChIKeyKQNGGLQBNHMRSC-UHFFFAOYSA-N
MW386.50 g/mol
LogP2.39
Rot. Bonds9

About N-[[1-[2-(3-methoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide

N-[[1-[2-(3-methoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide (PubChem CID 17029158) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[[1-[2-(3-methoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[[1-[2-(3-methoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide
PubChem CID17029158
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC NameN-[[1-[2-(3-methoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide
SMILESCOCCCNC(=O)Cn1c(CNC(=O)C2CCCCC2)nc2ccccc21
InChIInChI=1S/C21H30N4O3/c1-28-13-7-12-22-20(26)15-25-18-11-6-5-10-17(18)24-19(25)14-23-21(27)16-8-3-2-4-9-16/h5-6,10-11,16H,2-4,7-9,12-15H2,1H3,(H,22,26)(H,23,27)
InChIKeyKQNGGLQBNHMRSC-UHFFFAOYSA-N
XLogP2.39
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide
CID 17029148
N-[[1-[2-(3-methoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17029351
N-[[1-[2-(2-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide
CID 17029165
N-[2-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 17030548
N-[(1-octylbenzimidazol-2-yl)methyl]cyclohexanecarboxamide
CID 16968415
methyl 2-[2-[5-(cyclohexanecarbonylamino)pentyl]benzimidazol-1-yl]acetate
CID 16989094
methyl 2-[2-[2-(cyclohexanecarbonylamino)ethyl]benzimidazol-1-yl]acetate
CID 16975124
N-[[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide
CID 16968443
propan-2-yl 2-[2-[3-(cyclohexanecarbonylamino)propyl]benzimidazol-1-yl]acetate
CID 16981598
N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]cyclohexanecarboxamide
CID 16968451
N-[[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide
CID 17029167
2-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]-N-(3-methoxypropyl)acetamide
CID 17032534

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(3-methoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide?
The IUPAC name of N-[[1-[2-(3-methoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide (CID 17029158) is N-[[1-[2-(3-methoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[[1-[2-(3-methoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[[1-[2-(3-methoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide is COCCCNC(=O)Cn1c(CNC(=O)C2CCCCC2)nc2ccccc21.
What is the InChIKey of N-[[1-[2-(3-methoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide?
The InChIKey is KQNGGLQBNHMRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-28-13-7-12-22-20(26)15-25-18-11-6-5-10-17(18)24-19(25)14-23-21(27)16-8-3-2-4-9-16/h5-6,10-11,16H,2-4,7-9,12-15H2,1H3,(H,22,26)(H,23,27).
What are the key properties of N-[[1-[2-(3-methoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide?
N-[[1-[2-(3-methoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide has a molecular weight of 386.50 g/mol, XLogP of 2.39, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(3-methoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide is sourced from PubChem (CID 17029158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).