2-[2-(2-acetamidoethyl)benzimidazol-1-yl]-N,N-dicyclohexylacetamide

C25H36N4O2 — CID 16974247

IUPAC2-[2-(2-acetamidoethyl)benzimidazol-1-yl]-N,N-dicyclohexylacetamide
SMILESCC(=O)NCCc1nc2ccccc2n1CC(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C25H36N4O2/c1-19(30)26-17-16-24-27-22-14-8-9-15-23(22)28(24)18-25(31)29(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h8-9,14-15,20-21H,2-7,10-13,16-18H2,1H3,(H,26,30)
InChIKeyWMOQZISQQSOHFZ-UHFFFAOYSA-N
MW424.59 g/mol
LogP4.21
Rot. Bonds7

About 2-[2-(2-acetamidoethyl)benzimidazol-1-yl]-N,N-dicyclohexylacetamide

2-[2-(2-acetamidoethyl)benzimidazol-1-yl]-N,N-dicyclohexylacetamide (PubChem CID 16974247) has the molecular formula C25H36N4O2 and a molecular weight of 424.59 g/mol. Its IUPAC name is 2-[2-(2-acetamidoethyl)benzimidazol-1-yl]-N,N-dicyclohexylacetamide.

Molecular Properties

Compound Name2-[2-(2-acetamidoethyl)benzimidazol-1-yl]-N,N-dicyclohexylacetamide
PubChem CID16974247
Molecular FormulaC25H36N4O2
Molecular Weight424.59 g/mol
Exact Mass424.28
IUPAC Name2-[2-(2-acetamidoethyl)benzimidazol-1-yl]-N,N-dicyclohexylacetamide
SMILESCC(=O)NCCc1nc2ccccc2n1CC(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C25H36N4O2/c1-19(30)26-17-16-24-27-22-14-8-9-15-23(22)28(24)18-25(31)29(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h8-9,14-15,20-21H,2-7,10-13,16-18H2,1H3,(H,26,30)
InChIKeyWMOQZISQQSOHFZ-UHFFFAOYSA-N
XLogP4.21
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide
CID 16979223
N-[2-[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 16975715
(E)-N-[5-[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]pentyl]but-2-enamide
CID 16992179
N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide
CID 17006501
N-[3-[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-(4-methoxyphenyl)acetamide
CID 16985663
2-chloro-N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17007564
N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide
CID 16970743
N-[2-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 16975107
N,N-dicyclohexyl-2-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]acetamide
CID 16987501
N,N-dicyclohexyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 16997064
N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16975843
N-[3-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylprop-2-enamide
CID 16986998

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-acetamidoethyl)benzimidazol-1-yl]-N,N-dicyclohexylacetamide?
The IUPAC name of 2-[2-(2-acetamidoethyl)benzimidazol-1-yl]-N,N-dicyclohexylacetamide (CID 16974247) is 2-[2-(2-acetamidoethyl)benzimidazol-1-yl]-N,N-dicyclohexylacetamide.
What is the SMILES notation for 2-[2-(2-acetamidoethyl)benzimidazol-1-yl]-N,N-dicyclohexylacetamide?
The canonical SMILES for 2-[2-(2-acetamidoethyl)benzimidazol-1-yl]-N,N-dicyclohexylacetamide is CC(=O)NCCc1nc2ccccc2n1CC(=O)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 2-[2-(2-acetamidoethyl)benzimidazol-1-yl]-N,N-dicyclohexylacetamide?
The InChIKey is WMOQZISQQSOHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O2/c1-19(30)26-17-16-24-27-22-14-8-9-15-23(22)28(24)18-25(31)29(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h8-9,14-15,20-21H,2-7,10-13,16-18H2,1H3,(H,26,30).
What are the key properties of 2-[2-(2-acetamidoethyl)benzimidazol-1-yl]-N,N-dicyclohexylacetamide?
2-[2-(2-acetamidoethyl)benzimidazol-1-yl]-N,N-dicyclohexylacetamide has a molecular weight of 424.59 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-acetamidoethyl)benzimidazol-1-yl]-N,N-dicyclohexylacetamide is sourced from PubChem (CID 16974247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).