[2-(cyclohexylmethylamino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate

C18H23N3O3 — CID 5035462

IUPAC[2-(cyclohexylmethylamino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
SMILESO=C(COC(=O)Cn1cnc2ccccc21)NCC1CCCCC1
InChIInChI=1S/C18H23N3O3/c22-17(19-10-14-6-2-1-3-7-14)12-24-18(23)11-21-13-20-15-8-4-5-9-16(15)21/h4-5,8-9,13-14H,1-3,6-7,10-12H2,(H,19,22)
InChIKeyJOZLNRFUOJRIGX-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.28
Rot. Bonds6

About [2-(cyclohexylmethylamino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate

[2-(cyclohexylmethylamino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate (PubChem CID 5035462) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is [2-(cyclohexylmethylamino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate.

Molecular Properties

Compound Name[2-(cyclohexylmethylamino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
PubChem CID5035462
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name[2-(cyclohexylmethylamino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
SMILESO=C(COC(=O)Cn1cnc2ccccc21)NCC1CCCCC1
InChIInChI=1S/C18H23N3O3/c22-17(19-10-14-6-2-1-3-7-14)12-24-18(23)11-21-13-20-15-8-4-5-9-16(15)21/h4-5,8-9,13-14H,1-3,6-7,10-12H2,(H,19,22)
InChIKeyJOZLNRFUOJRIGX-UHFFFAOYSA-N
XLogP2.28
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(azepan-1-yl)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 3692305
[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 2476351
2-(benzimidazol-1-yl)-N-[(3-hydroxycyclopentyl)methyl]acetamide
CID 103279825
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 2395671
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 2436915
[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 5031162
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 2422296
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-phenylacetate
CID 55319435
[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 3915292
[2-(4-cyanoanilino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 4257908
2-(benzimidazol-1-yl)-N,N-dicyclohexylacetamide
CID 856407
[2-(cyclopentylamino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
CID 23908032

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylmethylamino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate?
The IUPAC name of [2-(cyclohexylmethylamino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate (CID 5035462) is [2-(cyclohexylmethylamino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate.
What is the SMILES notation for [2-(cyclohexylmethylamino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate?
The canonical SMILES for [2-(cyclohexylmethylamino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate is O=C(COC(=O)Cn1cnc2ccccc21)NCC1CCCCC1.
What is the InChIKey of [2-(cyclohexylmethylamino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate?
The InChIKey is JOZLNRFUOJRIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c22-17(19-10-14-6-2-1-3-7-14)12-24-18(23)11-21-13-20-15-8-4-5-9-16(15)21/h4-5,8-9,13-14H,1-3,6-7,10-12H2,(H,19,22).
What are the key properties of [2-(cyclohexylmethylamino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate?
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate has a molecular weight of 329.40 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylmethylamino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate is sourced from PubChem (CID 5035462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).