2-[2-(4-chloro-3-fluorophenyl)-5-methoxy-1,3-dihydrobenzimidazol-2-yl]-2-cyclohexyl-N-cyclopentylacetamide

C27H33ClFN3O2 — CID 68885781

IUPAC2-[2-(4-chloro-3-fluorophenyl)-5-methoxy-1,3-dihydrobenzimidazol-2-yl]-2-cyclohexyl-N-cyclopentylacetamide
SMILESCOc1ccc2c(c1)NC(c1ccc(Cl)c(F)c1)(C(C(=O)NC1CCCC1)C1CCCCC1)N2
InChIInChI=1S/C27H33ClFN3O2/c1-34-20-12-14-23-24(16-20)32-27(31-23,18-11-13-21(28)22(29)15-18)25(17-7-3-2-4-8-17)26(33)30-19-9-5-6-10-19/h11-17,19,25,31-32H,2-10H2,1H3,(H,30,33)
InChIKeyRMYQOBRLOQMVNJ-UHFFFAOYSA-N
MW486.03 g/mol
LogP6.43
Rot. Bonds6

About 2-[2-(4-chloro-3-fluorophenyl)-5-methoxy-1,3-dihydrobenzimidazol-2-yl]-2-cyclohexyl-N-cyclopentylacetamide

2-[2-(4-chloro-3-fluorophenyl)-5-methoxy-1,3-dihydrobenzimidazol-2-yl]-2-cyclohexyl-N-cyclopentylacetamide (PubChem CID 68885781) has the molecular formula C27H33ClFN3O2 and a molecular weight of 486.03 g/mol. Its IUPAC name is 2-[2-(4-chloro-3-fluorophenyl)-5-methoxy-1,3-dihydrobenzimidazol-2-yl]-2-cyclohexyl-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[2-(4-chloro-3-fluorophenyl)-5-methoxy-1,3-dihydrobenzimidazol-2-yl]-2-cyclohexyl-N-cyclopentylacetamide
PubChem CID68885781
Molecular FormulaC27H33ClFN3O2
Molecular Weight486.03 g/mol
Exact Mass485.22
IUPAC Name2-[2-(4-chloro-3-fluorophenyl)-5-methoxy-1,3-dihydrobenzimidazol-2-yl]-2-cyclohexyl-N-cyclopentylacetamide
SMILESCOc1ccc2c(c1)NC(c1ccc(Cl)c(F)c1)(C(C(=O)NC1CCCC1)C1CCCCC1)N2
InChIInChI=1S/C27H33ClFN3O2/c1-34-20-12-14-23-24(16-20)32-27(31-23,18-11-13-21(28)22(29)15-18)25(17-7-3-2-4-8-17)26(33)30-19-9-5-6-10-19/h11-17,19,25,31-32H,2-10H2,1H3,(H,30,33)
InChIKeyRMYQOBRLOQMVNJ-UHFFFAOYSA-N
XLogP6.43
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.03
LogP ≤ 56.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(5-chlorothiophen-2-yl)-5-methoxy-1,3-dihydrobenzimidazol-2-yl]-N,2-dicyclohexylacetamide
CID 68887165
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,2-dicyclohexylacetamide
CID 68889730
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
N,2-dicyclohexyl-2-[2-(3,4-dimethylphenyl)-1,3-dihydrobenzimidazol-2-yl]acetamide
CID 68887889
2-[2-(4-chlorophenyl)-1,3-dihydrobenzimidazol-2-yl]-N-cyclohexyl-2-(oxan-4-yl)acetamide
CID 68888846
4-[[2-cyclohexyl-2-[5,6-difluoro-2-(4-methylphenyl)-1,3-dihydrobenzimidazol-2-yl]acetyl]amino]cyclohexane-1-carboxylic acid
CID 68730093
methyl 4-[[2-[2-(4-chlorophenyl)-5,6-difluoro-1,3-dihydrobenzimidazol-2-yl]-2-cyclohexylacetyl]amino]-3,5-difluorobenzoate
CID 68732838
2-[4-[[2-[2-(4-chlorophenyl)-5,6-difluoro-1,3-dihydrobenzimidazol-2-yl]-2-cyclohexylacetyl]amino]-3-fluorophenoxy]acetic acid
CID 68732653

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chloro-3-fluorophenyl)-5-methoxy-1,3-dihydrobenzimidazol-2-yl]-2-cyclohexyl-N-cyclopentylacetamide?
The IUPAC name of 2-[2-(4-chloro-3-fluorophenyl)-5-methoxy-1,3-dihydrobenzimidazol-2-yl]-2-cyclohexyl-N-cyclopentylacetamide (CID 68885781) is 2-[2-(4-chloro-3-fluorophenyl)-5-methoxy-1,3-dihydrobenzimidazol-2-yl]-2-cyclohexyl-N-cyclopentylacetamide.
What is the SMILES notation for 2-[2-(4-chloro-3-fluorophenyl)-5-methoxy-1,3-dihydrobenzimidazol-2-yl]-2-cyclohexyl-N-cyclopentylacetamide?
The canonical SMILES for 2-[2-(4-chloro-3-fluorophenyl)-5-methoxy-1,3-dihydrobenzimidazol-2-yl]-2-cyclohexyl-N-cyclopentylacetamide is COc1ccc2c(c1)NC(c1ccc(Cl)c(F)c1)(C(C(=O)NC1CCCC1)C1CCCCC1)N2.
What is the InChIKey of 2-[2-(4-chloro-3-fluorophenyl)-5-methoxy-1,3-dihydrobenzimidazol-2-yl]-2-cyclohexyl-N-cyclopentylacetamide?
The InChIKey is RMYQOBRLOQMVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33ClFN3O2/c1-34-20-12-14-23-24(16-20)32-27(31-23,18-11-13-21(28)22(29)15-18)25(17-7-3-2-4-8-17)26(33)30-19-9-5-6-10-19/h11-17,19,25,31-32H,2-10H2,1H3,(H,30,33).
What are the key properties of 2-[2-(4-chloro-3-fluorophenyl)-5-methoxy-1,3-dihydrobenzimidazol-2-yl]-2-cyclohexyl-N-cyclopentylacetamide?
2-[2-(4-chloro-3-fluorophenyl)-5-methoxy-1,3-dihydrobenzimidazol-2-yl]-2-cyclohexyl-N-cyclopentylacetamide has a molecular weight of 486.03 g/mol, XLogP of 6.43, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chloro-3-fluorophenyl)-5-methoxy-1,3-dihydrobenzimidazol-2-yl]-2-cyclohexyl-N-cyclopentylacetamide is sourced from PubChem (CID 68885781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).