N,N-dicyclohexyl-2-[2-(2,3-difluorophenyl)-6-fluorobenzimidazol-1-yl]acetamide

C27H30F3N3O — CID 175290124

IUPACN,N-dicyclohexyl-2-[2-(2,3-difluorophenyl)-6-fluorobenzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(-c2cccc(F)c2F)nc2ccc(F)cc21)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C27H30F3N3O/c28-18-14-15-23-24(16-18)32(27(31-23)21-12-7-13-22(29)26(21)30)17-25(34)33(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h7,12-16,19-20H,1-6,8-11,17H2
InChIKeyLXWFWROSNQWHCV-UHFFFAOYSA-N
MW469.55 g/mol
LogP6.61
Rot. Bonds5

About N,N-dicyclohexyl-2-[2-(2,3-difluorophenyl)-6-fluorobenzimidazol-1-yl]acetamide

N,N-dicyclohexyl-2-[2-(2,3-difluorophenyl)-6-fluorobenzimidazol-1-yl]acetamide (PubChem CID 175290124) has the molecular formula C27H30F3N3O and a molecular weight of 469.55 g/mol. Its IUPAC name is N,N-dicyclohexyl-2-[2-(2,3-difluorophenyl)-6-fluorobenzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-2-[2-(2,3-difluorophenyl)-6-fluorobenzimidazol-1-yl]acetamide
PubChem CID175290124
Molecular FormulaC27H30F3N3O
Molecular Weight469.55 g/mol
Exact Mass469.23
IUPAC NameN,N-dicyclohexyl-2-[2-(2,3-difluorophenyl)-6-fluorobenzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(-c2cccc(F)c2F)nc2ccc(F)cc21)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C27H30F3N3O/c28-18-14-15-23-24(16-18)32(27(31-23)21-12-7-13-22(29)26(21)30)17-25(34)33(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h7,12-16,19-20H,1-6,8-11,17H2
InChIKeyLXWFWROSNQWHCV-UHFFFAOYSA-N
XLogP6.61
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.55
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-dicyclohexyl-2-[2-(2,3-difluorophenyl)-6-fluorobenzimidazol-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dicyclohexyl-2-[2-(3-fluorophenyl)benzimidazol-1-yl]acetamide
CID 175290021
N,N-dicyclohexyl-2-(5,6-difluoro-2-pyridin-2-ylbenzimidazol-1-yl)acetamide
CID 175290164
N,N-dicyclohexyl-2-[2-(2,3-dimethoxyphenyl)benzimidazol-1-yl]acetamide
CID 175290073
N,N-dicyclohexyl-2-[2-[2-(difluoromethoxy)phenyl]benzimidazol-1-yl]acetamide
CID 175290038
N,N-dicyclohexyl-2-[2-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]benzimidazol-1-yl]acetamide
CID 175290028
N,N-dicyclohexyl-2-[2-(3-fluoro-4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 175290003
N,N-dicyclohexyl-2-(2-naphthalen-2-ylbenzimidazol-1-yl)acetamide
CID 174570409
N,N-dicyclohexyl-2-[2-(6-methyl-3-pyridinyl)benzimidazol-1-yl]acetamide
CID 175290062
N,N-dicyclohexyl-2-[2-(3-methylfuran-2-yl)benzimidazol-1-yl]acetamide
CID 175289954
N,N-dicyclohexyl-2-[2-(5-methyl-1H-indol-2-yl)benzimidazol-1-yl]acetamide
CID 175290138
N,N-dicyclohexyl-2-[2-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide
CID 17005683
N-cyclohexyl-N-methyl-2-[2-(4-methylphenyl)benzimidazol-1-yl]acetamide
CID 17000965

Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-2-[2-(2,3-difluorophenyl)-6-fluorobenzimidazol-1-yl]acetamide?
The IUPAC name of N,N-dicyclohexyl-2-[2-(2,3-difluorophenyl)-6-fluorobenzimidazol-1-yl]acetamide (CID 175290124) is N,N-dicyclohexyl-2-[2-(2,3-difluorophenyl)-6-fluorobenzimidazol-1-yl]acetamide.
What is the SMILES notation for N,N-dicyclohexyl-2-[2-(2,3-difluorophenyl)-6-fluorobenzimidazol-1-yl]acetamide?
The canonical SMILES for N,N-dicyclohexyl-2-[2-(2,3-difluorophenyl)-6-fluorobenzimidazol-1-yl]acetamide is O=C(Cn1c(-c2cccc(F)c2F)nc2ccc(F)cc21)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N,N-dicyclohexyl-2-[2-(2,3-difluorophenyl)-6-fluorobenzimidazol-1-yl]acetamide?
The InChIKey is LXWFWROSNQWHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F3N3O/c28-18-14-15-23-24(16-18)32(27(31-23)21-12-7-13-22(29)26(21)30)17-25(34)33(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h7,12-16,19-20H,1-6,8-11,17H2.
What are the key properties of N,N-dicyclohexyl-2-[2-(2,3-difluorophenyl)-6-fluorobenzimidazol-1-yl]acetamide?
N,N-dicyclohexyl-2-[2-(2,3-difluorophenyl)-6-fluorobenzimidazol-1-yl]acetamide has a molecular weight of 469.55 g/mol, XLogP of 6.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-2-[2-(2,3-difluorophenyl)-6-fluorobenzimidazol-1-yl]acetamide is sourced from PubChem (CID 175290124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).