2-[2-(5-chlorothiophen-2-yl)-5-methoxy-1,3-dihydrobenzimidazol-2-yl]-N,2-dicyclohexylacetamide

C26H34ClN3O2S — CID 68887165

IUPAC2-[2-(5-chlorothiophen-2-yl)-5-methoxy-1,3-dihydrobenzimidazol-2-yl]-N,2-dicyclohexylacetamide
SMILESCOc1ccc2c(c1)NC(c1ccc(Cl)s1)(C(C(=O)NC1CCCCC1)C1CCCCC1)N2
InChIInChI=1S/C26H34ClN3O2S/c1-32-19-12-13-20-21(16-19)30-26(29-20,22-14-15-23(27)33-22)24(17-8-4-2-5-9-17)25(31)28-18-10-6-3-7-11-18/h12-18,24,29-30H,2-11H2,1H3,(H,28,31)
InChIKeyJUJMEJMYFHEITD-UHFFFAOYSA-N
MW488.10 g/mol
LogP6.75
Rot. Bonds6

About 2-[2-(5-chlorothiophen-2-yl)-5-methoxy-1,3-dihydrobenzimidazol-2-yl]-N,2-dicyclohexylacetamide

2-[2-(5-chlorothiophen-2-yl)-5-methoxy-1,3-dihydrobenzimidazol-2-yl]-N,2-dicyclohexylacetamide (PubChem CID 68887165) has the molecular formula C26H34ClN3O2S and a molecular weight of 488.10 g/mol. Its IUPAC name is 2-[2-(5-chlorothiophen-2-yl)-5-methoxy-1,3-dihydrobenzimidazol-2-yl]-N,2-dicyclohexylacetamide.

Molecular Properties

Compound Name2-[2-(5-chlorothiophen-2-yl)-5-methoxy-1,3-dihydrobenzimidazol-2-yl]-N,2-dicyclohexylacetamide
PubChem CID68887165
Molecular FormulaC26H34ClN3O2S
Molecular Weight488.10 g/mol
Exact Mass487.21
IUPAC Name2-[2-(5-chlorothiophen-2-yl)-5-methoxy-1,3-dihydrobenzimidazol-2-yl]-N,2-dicyclohexylacetamide
SMILESCOc1ccc2c(c1)NC(c1ccc(Cl)s1)(C(C(=O)NC1CCCCC1)C1CCCCC1)N2
InChIInChI=1S/C26H34ClN3O2S/c1-32-19-12-13-20-21(16-19)30-26(29-20,22-14-15-23(27)33-22)24(17-8-4-2-5-9-17)25(31)28-18-10-6-3-7-11-18/h12-18,24,29-30H,2-11H2,1H3,(H,28,31)
InChIKeyJUJMEJMYFHEITD-UHFFFAOYSA-N
XLogP6.75
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.10
LogP ≤ 56.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[2-(3-chloro-4-methoxyphenyl)-5-methoxy-1,3-dihydrobenzimidazol-2-yl]-N,2-dicyclopentylacetamide
CID 68886346
2-[2-(4-chloro-3-fluorophenyl)-5-methoxy-1,3-dihydrobenzimidazol-2-yl]-2-cyclohexyl-N-cyclopentylacetamide
CID 68885781
N,2-dicyclohexyl-2-[5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-dihydrobenzimidazol-2-yl]acetamide
CID 68888492
2-[2-(4-chlorophenyl)-1,3-dihydrobenzimidazol-2-yl]-N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 68887519
N,2-dicyclohexyl-2-(2-naphthalen-2-yl-1,3-dihydrobenzimidazol-2-yl)acetamide
CID 68887043
2-[2-(2-chlorophenyl)-5,6-difluoro-1,3-dihydrobenzimidazol-2-yl]-N,2-dicyclohexylacetamide
CID 68887472
3-chloro-N-cyclohexyl-6-methoxy-1-benzothiophene-2-carboxamide
CID 675724
2-[2-(4-chlorophenyl)-1,3-dihydrobenzimidazol-2-yl]-N-cyclohexyl-2-(oxan-4-yl)acetamide
CID 68888846
N,2-dicyclohexyl-2-[2-[(2,3-dimethylphenoxy)methyl]-5-fluoro-1,3-dihydrobenzimidazol-2-yl]acetamide
CID 68728815
N,2-dicyclohexyl-2-[2-(3-methylfuran-2-yl)-1,3-dihydrobenzimidazol-2-yl]acetamide
CID 68890623
4-[[2-cyclohexyl-2-[5,6-difluoro-2-(4-methylphenyl)-1,3-dihydrobenzimidazol-2-yl]acetyl]amino]cyclohexane-1-carboxylic acid
CID 68730093
(2S)-N-cycloheptyl-2-(7-methoxynaphthalen-2-yl)oxypropanamide
CID 40855971

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-chlorothiophen-2-yl)-5-methoxy-1,3-dihydrobenzimidazol-2-yl]-N,2-dicyclohexylacetamide?
The IUPAC name of 2-[2-(5-chlorothiophen-2-yl)-5-methoxy-1,3-dihydrobenzimidazol-2-yl]-N,2-dicyclohexylacetamide (CID 68887165) is 2-[2-(5-chlorothiophen-2-yl)-5-methoxy-1,3-dihydrobenzimidazol-2-yl]-N,2-dicyclohexylacetamide.
What is the SMILES notation for 2-[2-(5-chlorothiophen-2-yl)-5-methoxy-1,3-dihydrobenzimidazol-2-yl]-N,2-dicyclohexylacetamide?
The canonical SMILES for 2-[2-(5-chlorothiophen-2-yl)-5-methoxy-1,3-dihydrobenzimidazol-2-yl]-N,2-dicyclohexylacetamide is COc1ccc2c(c1)NC(c1ccc(Cl)s1)(C(C(=O)NC1CCCCC1)C1CCCCC1)N2.
What is the InChIKey of 2-[2-(5-chlorothiophen-2-yl)-5-methoxy-1,3-dihydrobenzimidazol-2-yl]-N,2-dicyclohexylacetamide?
The InChIKey is JUJMEJMYFHEITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34ClN3O2S/c1-32-19-12-13-20-21(16-19)30-26(29-20,22-14-15-23(27)33-22)24(17-8-4-2-5-9-17)25(31)28-18-10-6-3-7-11-18/h12-18,24,29-30H,2-11H2,1H3,(H,28,31).
What are the key properties of 2-[2-(5-chlorothiophen-2-yl)-5-methoxy-1,3-dihydrobenzimidazol-2-yl]-N,2-dicyclohexylacetamide?
2-[2-(5-chlorothiophen-2-yl)-5-methoxy-1,3-dihydrobenzimidazol-2-yl]-N,2-dicyclohexylacetamide has a molecular weight of 488.10 g/mol, XLogP of 6.75, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-chlorothiophen-2-yl)-5-methoxy-1,3-dihydrobenzimidazol-2-yl]-N,2-dicyclohexylacetamide is sourced from PubChem (CID 68887165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).