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

C25H30N4O2 — CID 17029165

IUPACN-[[1-[2-(2-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide
SMILESCCc1ccccc1NC(=O)Cn1c(CNC(=O)C2CCCCC2)nc2ccccc21
InChIInChI=1S/C25H30N4O2/c1-2-18-10-6-7-13-20(18)28-24(30)17-29-22-15-9-8-14-21(22)27-23(29)16-26-25(31)19-11-4-3-5-12-19/h6-10,13-15,19H,2-5,11-12,16-17H2,1H3,(H,26,31)(H,28,30)
InChIKeyMMAIPUIRMJTRRB-UHFFFAOYSA-N
MW418.54 g/mol
LogP4.43
Rot. Bonds7

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

N-[[1-[2-(2-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide (PubChem CID 17029165) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-[[1-[2-(2-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[[1-[2-(2-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide
PubChem CID17029165
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC NameN-[[1-[2-(2-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide
SMILESCCc1ccccc1NC(=O)Cn1c(CNC(=O)C2CCCCC2)nc2ccccc21
InChIInChI=1S/C25H30N4O2/c1-2-18-10-6-7-13-20(18)28-24(30)17-29-22-15-9-8-14-21(22)27-23(29)16-26-25(31)19-11-4-3-5-12-19/h6-10,13-15,19H,2-5,11-12,16-17H2,1H3,(H,26,31)(H,28,30)
InChIKeyMMAIPUIRMJTRRB-UHFFFAOYSA-N
XLogP4.43
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[2-(2-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide
CID 17028969
N-[[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide
CID 17029148
2-(2-ethylbenzimidazol-1-yl)-N-(2-ethylphenyl)acetamide
CID 4789521
2-(2-cyclohexylbenzimidazol-1-yl)-N-(2-ethylphenyl)acetamide
CID 17028725
N-[[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide
CID 17029167
N-[[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide
CID 17029186
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-ethylbenzimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 16969775
N-[[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide
CID 16968443
2-(2-cyclopropylbenzimidazol-1-yl)-N-(2-ethylphenyl)acetamide
CID 17028774
N-[[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]cyclopropanecarboxamide
CID 16969915

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(2-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide?
The IUPAC name of N-[[1-[2-(2-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide (CID 17029165) is N-[[1-[2-(2-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[[1-[2-(2-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[[1-[2-(2-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide is CCc1ccccc1NC(=O)Cn1c(CNC(=O)C2CCCCC2)nc2ccccc21.
What is the InChIKey of N-[[1-[2-(2-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide?
The InChIKey is MMAIPUIRMJTRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-2-18-10-6-7-13-20(18)28-24(30)17-29-22-15-9-8-14-21(22)27-23(29)16-26-25(31)19-11-4-3-5-12-19/h6-10,13-15,19H,2-5,11-12,16-17H2,1H3,(H,26,31)(H,28,30).
What are the key properties of N-[[1-[2-(2-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide?
N-[[1-[2-(2-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide has a molecular weight of 418.54 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(2-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide is sourced from PubChem (CID 17029165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).