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

C21H30N4O2 — CID 17029148

IUPACN-[[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide
SMILESCCCCNC(=O)Cn1c(CNC(=O)C2CCCCC2)nc2ccccc21
InChIInChI=1S/C21H30N4O2/c1-2-3-13-22-20(26)15-25-18-12-8-7-11-17(18)24-19(25)14-23-21(27)16-9-5-4-6-10-16/h7-8,11-12,16H,2-6,9-10,13-15H2,1H3,(H,22,26)(H,23,27)
InChIKeyCVIGAZUYNHSYGH-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.15
Rot. Bonds8

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

N-[[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide (PubChem CID 17029148) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-[[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide
PubChem CID17029148
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC NameN-[[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide
SMILESCCCCNC(=O)Cn1c(CNC(=O)C2CCCCC2)nc2ccccc21
InChIInChI=1S/C21H30N4O2/c1-2-3-13-22-20(26)15-25-18-12-8-7-11-17(18)24-19(25)14-23-21(27)16-9-5-4-6-10-16/h7-8,11-12,16H,2-6,9-10,13-15H2,1H3,(H,22,26)(H,23,27)
InChIKeyCVIGAZUYNHSYGH-UHFFFAOYSA-N
XLogP3.15
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-[2-(3-methoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide
CID 17029158
N-[(1-octylbenzimidazol-2-yl)methyl]cyclohexanecarboxamide
CID 16968415
N-[[1-[2-(2-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide
CID 17029165
N-[(1-dodecylbenzimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 16969793
N-[3-(1-hexylbenzimidazol-2-yl)propyl]cyclohexanecarboxamide
CID 18888908
N-[(1-ethylbenzimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 16969775
N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]cyclohexanecarboxamide
CID 16981590
N-[2-(1-octylbenzimidazol-2-yl)ethyl]cyclohexanecarboxamide
CID 18888831
N-[[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide
CID 17029167
N-[[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-chlorobenzamide
CID 17029537
N-[[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]cyclopropanecarboxamide
CID 16969915
N-[5-(1-ethylbenzimidazol-2-yl)pentyl]cyclohexanecarboxamide
CID 16988943

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide?
The IUPAC name of N-[[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide (CID 17029148) is N-[[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide is CCCCNC(=O)Cn1c(CNC(=O)C2CCCCC2)nc2ccccc21.
What is the InChIKey of N-[[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide?
The InChIKey is CVIGAZUYNHSYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-2-3-13-22-20(26)15-25-18-12-8-7-11-17(18)24-19(25)14-23-21(27)16-9-5-4-6-10-16/h7-8,11-12,16H,2-6,9-10,13-15H2,1H3,(H,22,26)(H,23,27).
What are the key properties of N-[[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide?
N-[[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide has a molecular weight of 370.50 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide is sourced from PubChem (CID 17029148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).