2-[[2-(benzimidazol-1-yl)acetyl]-(oxolan-2-ylmethyl)amino]-N-cyclohexyl-2-phenylacetamide

C28H34N4O3 — CID 3202303

IUPAC2-[[2-(benzimidazol-1-yl)acetyl]-(oxolan-2-ylmethyl)amino]-N-cyclohexyl-2-phenylacetamide
SMILESO=C(NC1CCCCC1)C(c1ccccc1)N(CC1CCCO1)C(=O)Cn1cnc2ccccc21
InChIInChI=1S/C28H34N4O3/c33-26(19-31-20-29-24-15-7-8-16-25(24)31)32(18-23-14-9-17-35-23)27(21-10-3-1-4-11-21)28(34)30-22-12-5-2-6-13-22/h1,3-4,7-8,10-11,15-16,20,22-23,27H,2,5-6,9,12-14,17-19H2,(H,30,34)
InChIKeyFAGSRMKAOASCPA-UHFFFAOYSA-N
MW474.61 g/mol
LogP4.23
Rot. Bonds8

About 2-[[2-(benzimidazol-1-yl)acetyl]-(oxolan-2-ylmethyl)amino]-N-cyclohexyl-2-phenylacetamide

2-[[2-(benzimidazol-1-yl)acetyl]-(oxolan-2-ylmethyl)amino]-N-cyclohexyl-2-phenylacetamide (PubChem CID 3202303) has the molecular formula C28H34N4O3 and a molecular weight of 474.61 g/mol. Its IUPAC name is 2-[[2-(benzimidazol-1-yl)acetyl]-(oxolan-2-ylmethyl)amino]-N-cyclohexyl-2-phenylacetamide.

Molecular Properties

Compound Name2-[[2-(benzimidazol-1-yl)acetyl]-(oxolan-2-ylmethyl)amino]-N-cyclohexyl-2-phenylacetamide
PubChem CID3202303
Molecular FormulaC28H34N4O3
Molecular Weight474.61 g/mol
Exact Mass474.26
IUPAC Name2-[[2-(benzimidazol-1-yl)acetyl]-(oxolan-2-ylmethyl)amino]-N-cyclohexyl-2-phenylacetamide
SMILESO=C(NC1CCCCC1)C(c1ccccc1)N(CC1CCCO1)C(=O)Cn1cnc2ccccc21
InChIInChI=1S/C28H34N4O3/c33-26(19-31-20-29-24-15-7-8-16-25(24)31)32(18-23-14-9-17-35-23)27(21-10-3-1-4-11-21)28(34)30-22-12-5-2-6-13-22/h1,3-4,7-8,10-11,15-16,20,22-23,27H,2,5-6,9,12-14,17-19H2,(H,30,34)
InChIKeyFAGSRMKAOASCPA-UHFFFAOYSA-N
XLogP4.23
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(N-[2-(benzimidazol-1-yl)acetyl]-3-fluoroanilino)-N-cyclopentyl-2-(2-methylphenyl)acetamide
CID 56832449
(2S)-N-[5-carbamimidamido-1-(1-methyl-1H-1,3-benzodiazol-2-yl)-1-oxopentan-2-yl]-1-[(2R)-2-(methylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxamide
CID 23646600
(+)-2-(2-(1H-Benzo[d]imidazol-1-yl)-N-(3-fluorophenyl)acetamido)-N-cyclopentyl-2-o-tolylacetamide
CID 124604738
N-{1-[2-(4-morpholinyl)ethyl]-1H-benzimidazol-2-yl}benzamide
CID 2837113
2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 4877945
N-cyclohexyl-2-(3-fluoro-N-[2-(2-methylbenzimidazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide
CID 56645357
[2-Oxo-2-(2-phenylethylamino)ethyl] 2-(benzimidazol-1-yl)acetate
CID 2422184
N-benzhydryl-2-(benzimidazol-1-yl)acetamide
CID 3278071
1-cyclopentyl-N-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide
CID 3655573
(S)-N-((S)-5-guanidino-1-(1-methyl-1H-benzo[d]imidazol-2-yl)-1-oxopentan-2-yl)-1-((R)-2-(methylamino)-3-phenylpropanoyl)pyrrolidine-2-carboxamide
CID 10650243
N-{6-[(2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-1-ylcarbonyl)amino]hexanoyl}-L-phenylalanine
CID 16406936
(6S,8aS)-N-((S)-5-guanidino-1-(1-methyl-1H-benzo[d]imidazol-2-yl)-1-oxopentan-2-yl)-4-oxo-2-(3-phenylpropanoyl)-octahydropyrrolo[1,2-a]pyrazine-6-carboxamide
CID 44453663

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(benzimidazol-1-yl)acetyl]-(oxolan-2-ylmethyl)amino]-N-cyclohexyl-2-phenylacetamide?
The IUPAC name of 2-[[2-(benzimidazol-1-yl)acetyl]-(oxolan-2-ylmethyl)amino]-N-cyclohexyl-2-phenylacetamide (CID 3202303) is 2-[[2-(benzimidazol-1-yl)acetyl]-(oxolan-2-ylmethyl)amino]-N-cyclohexyl-2-phenylacetamide.
What is the SMILES notation for 2-[[2-(benzimidazol-1-yl)acetyl]-(oxolan-2-ylmethyl)amino]-N-cyclohexyl-2-phenylacetamide?
The canonical SMILES for 2-[[2-(benzimidazol-1-yl)acetyl]-(oxolan-2-ylmethyl)amino]-N-cyclohexyl-2-phenylacetamide is O=C(NC1CCCCC1)C(c1ccccc1)N(CC1CCCO1)C(=O)Cn1cnc2ccccc21.
What is the InChIKey of 2-[[2-(benzimidazol-1-yl)acetyl]-(oxolan-2-ylmethyl)amino]-N-cyclohexyl-2-phenylacetamide?
The InChIKey is FAGSRMKAOASCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O3/c33-26(19-31-20-29-24-15-7-8-16-25(24)31)32(18-23-14-9-17-35-23)27(21-10-3-1-4-11-21)28(34)30-22-12-5-2-6-13-22/h1,3-4,7-8,10-11,15-16,20,22-23,27H,2,5-6,9,12-14,17-19H2,(H,30,34).
What are the key properties of 2-[[2-(benzimidazol-1-yl)acetyl]-(oxolan-2-ylmethyl)amino]-N-cyclohexyl-2-phenylacetamide?
2-[[2-(benzimidazol-1-yl)acetyl]-(oxolan-2-ylmethyl)amino]-N-cyclohexyl-2-phenylacetamide has a molecular weight of 474.61 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(benzimidazol-1-yl)acetyl]-(oxolan-2-ylmethyl)amino]-N-cyclohexyl-2-phenylacetamide is sourced from PubChem (CID 3202303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).