2-[2-(2-chlorophenyl)-5,6-difluoro-1,3-dihydrobenzimidazol-2-yl]-N,2-dicyclohexylacetamide

C27H32ClF2N3O — CID 68887472

IUPAC2-[2-(2-chlorophenyl)-5,6-difluoro-1,3-dihydrobenzimidazol-2-yl]-N,2-dicyclohexylacetamide
SMILESO=C(NC1CCCCC1)C(C1CCCCC1)C1(c2ccccc2Cl)Nc2cc(F)c(F)cc2N1
InChIInChI=1S/C27H32ClF2N3O/c28-20-14-8-7-13-19(20)27(32-23-15-21(29)22(30)16-24(23)33-27)25(17-9-3-1-4-10-17)26(34)31-18-11-5-2-6-12-18/h7-8,13-18,25,32-33H,1-6,9-12H2,(H,31,34)
InChIKeyKVQXSKIUPDXWBZ-UHFFFAOYSA-N
MW488.02 g/mol
LogP6.95
Rot. Bonds5

About 2-[2-(2-chlorophenyl)-5,6-difluoro-1,3-dihydrobenzimidazol-2-yl]-N,2-dicyclohexylacetamide

2-[2-(2-chlorophenyl)-5,6-difluoro-1,3-dihydrobenzimidazol-2-yl]-N,2-dicyclohexylacetamide (PubChem CID 68887472) has the molecular formula C27H32ClF2N3O and a molecular weight of 488.02 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)-5,6-difluoro-1,3-dihydrobenzimidazol-2-yl]-N,2-dicyclohexylacetamide.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)-5,6-difluoro-1,3-dihydrobenzimidazol-2-yl]-N,2-dicyclohexylacetamide
PubChem CID68887472
Molecular FormulaC27H32ClF2N3O
Molecular Weight488.02 g/mol
Exact Mass487.22
IUPAC Name2-[2-(2-chlorophenyl)-5,6-difluoro-1,3-dihydrobenzimidazol-2-yl]-N,2-dicyclohexylacetamide
SMILESO=C(NC1CCCCC1)C(C1CCCCC1)C1(c2ccccc2Cl)Nc2cc(F)c(F)cc2N1
InChIInChI=1S/C27H32ClF2N3O/c28-20-14-8-7-13-19(20)27(32-23-15-21(29)22(30)16-24(23)33-27)25(17-9-3-1-4-10-17)26(34)31-18-11-5-2-6-12-18/h7-8,13-18,25,32-33H,1-6,9-12H2,(H,31,34)
InChIKeyKVQXSKIUPDXWBZ-UHFFFAOYSA-N
XLogP6.95
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.02
LogP ≤ 56.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dicyclohexyl-2-[5,6-difluoro-2-(2-phenylethyl)-1,3-dihydrobenzimidazol-2-yl]acetamide
CID 68730718
2-[2-(4-chlorophenyl)-1,3-dihydrobenzimidazol-2-yl]-N,2-dicyclohexylacetamide
CID 68889730
4-[[2-cyclohexyl-2-[5,6-difluoro-2-(4-methylphenyl)-1,3-dihydrobenzimidazol-2-yl]acetyl]amino]cyclohexane-1-carboxylic acid
CID 68730093
2-[5-chloro-6-fluoro-2-[(4-fluorophenyl)sulfanylmethyl]-1,3-dihydrobenzimidazol-2-yl]-N,2-dicyclohexylacetamide
CID 68727080
2-[2-(4-chlorophenyl)-1,3-dihydrobenzimidazol-2-yl]-N-cyclohexyl-2-(oxan-4-yl)acetamide
CID 68888846
2-[2-(4-chloro-3-fluorophenyl)-5-methoxy-1,3-dihydrobenzimidazol-2-yl]-2-cyclohexyl-N-cyclopentylacetamide
CID 68885781
N,2-dicyclohexyl-2-(2-naphthalen-2-yl-1,3-dihydrobenzimidazol-2-yl)acetamide
CID 68887043
N,2-dicyclohexyl-2-[2-(3,4-dimethylphenyl)-1,3-dihydrobenzimidazol-2-yl]acetamide
CID 68887889
N,2-dicyclohexyl-2-[2-(3-methylfuran-2-yl)-1,3-dihydrobenzimidazol-2-yl]acetamide
CID 68890623
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
methyl 4-[[2-[2-(4-chlorophenyl)-5,6-difluoro-1,3-dihydrobenzimidazol-2-yl]-2-cyclohexylacetyl]amino]-3,5-difluorobenzoate
CID 68732838

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)-5,6-difluoro-1,3-dihydrobenzimidazol-2-yl]-N,2-dicyclohexylacetamide?
The IUPAC name of 2-[2-(2-chlorophenyl)-5,6-difluoro-1,3-dihydrobenzimidazol-2-yl]-N,2-dicyclohexylacetamide (CID 68887472) is 2-[2-(2-chlorophenyl)-5,6-difluoro-1,3-dihydrobenzimidazol-2-yl]-N,2-dicyclohexylacetamide.
What is the SMILES notation for 2-[2-(2-chlorophenyl)-5,6-difluoro-1,3-dihydrobenzimidazol-2-yl]-N,2-dicyclohexylacetamide?
The canonical SMILES for 2-[2-(2-chlorophenyl)-5,6-difluoro-1,3-dihydrobenzimidazol-2-yl]-N,2-dicyclohexylacetamide is O=C(NC1CCCCC1)C(C1CCCCC1)C1(c2ccccc2Cl)Nc2cc(F)c(F)cc2N1.
What is the InChIKey of 2-[2-(2-chlorophenyl)-5,6-difluoro-1,3-dihydrobenzimidazol-2-yl]-N,2-dicyclohexylacetamide?
The InChIKey is KVQXSKIUPDXWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32ClF2N3O/c28-20-14-8-7-13-19(20)27(32-23-15-21(29)22(30)16-24(23)33-27)25(17-9-3-1-4-10-17)26(34)31-18-11-5-2-6-12-18/h7-8,13-18,25,32-33H,1-6,9-12H2,(H,31,34).
What are the key properties of 2-[2-(2-chlorophenyl)-5,6-difluoro-1,3-dihydrobenzimidazol-2-yl]-N,2-dicyclohexylacetamide?
2-[2-(2-chlorophenyl)-5,6-difluoro-1,3-dihydrobenzimidazol-2-yl]-N,2-dicyclohexylacetamide has a molecular weight of 488.02 g/mol, XLogP of 6.95, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)-5,6-difluoro-1,3-dihydrobenzimidazol-2-yl]-N,2-dicyclohexylacetamide is sourced from PubChem (CID 68887472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).