N,N-dicyclohexyl-2-(5,6-difluoro-2-pyridin-2-ylbenzimidazol-1-yl)acetamide

C26H30F2N4O — CID 175290164

IUPACN,N-dicyclohexyl-2-(5,6-difluoro-2-pyridin-2-ylbenzimidazol-1-yl)acetamide
SMILESO=C(Cn1c(-c2ccccn2)nc2cc(F)c(F)cc21)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C26H30F2N4O/c27-20-15-23-24(16-21(20)28)31(26(30-23)22-13-7-8-14-29-22)17-25(33)32(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h7-8,13-16,18-19H,1-6,9-12,17H2
InChIKeyBBYFHLNYYUPXAZ-UHFFFAOYSA-N
MW452.55 g/mol
LogP5.87
Rot. Bonds5

About N,N-dicyclohexyl-2-(5,6-difluoro-2-pyridin-2-ylbenzimidazol-1-yl)acetamide

N,N-dicyclohexyl-2-(5,6-difluoro-2-pyridin-2-ylbenzimidazol-1-yl)acetamide (PubChem CID 175290164) has the molecular formula C26H30F2N4O and a molecular weight of 452.55 g/mol. Its IUPAC name is N,N-dicyclohexyl-2-(5,6-difluoro-2-pyridin-2-ylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-2-(5,6-difluoro-2-pyridin-2-ylbenzimidazol-1-yl)acetamide
PubChem CID175290164
Molecular FormulaC26H30F2N4O
Molecular Weight452.55 g/mol
Exact Mass452.24
IUPAC NameN,N-dicyclohexyl-2-(5,6-difluoro-2-pyridin-2-ylbenzimidazol-1-yl)acetamide
SMILESO=C(Cn1c(-c2ccccn2)nc2cc(F)c(F)cc21)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C26H30F2N4O/c27-20-15-23-24(16-21(20)28)31(26(30-23)22-13-7-8-14-29-22)17-25(33)32(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h7-8,13-16,18-19H,1-6,9-12,17H2
InChIKeyBBYFHLNYYUPXAZ-UHFFFAOYSA-N
XLogP5.87
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.55
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dicyclohexyl-2-[2-(2,3-difluorophenyl)-6-fluorobenzimidazol-1-yl]acetamide
CID 175290124
N,N-dicyclohexyl-2-[2-(3-fluorophenyl)benzimidazol-1-yl]acetamide
CID 175290021
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-[2-(difluoromethoxy)phenyl]benzimidazol-1-yl]acetamide
CID 175290038
N,N-dicyclohexyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 16997064
N,N-dicyclohexyl-2-[2-(5-methyl-1H-indol-2-yl)benzimidazol-1-yl]acetamide
CID 175290138
N,N-dicyclohexyl-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
CID 23967281
N,N-dicyclohexyl-2-[2-(2,3-dimethoxyphenyl)benzimidazol-1-yl]acetamide
CID 175290073
2-(benzimidazol-1-yl)-N,N-dicyclohexylacetamide
CID 856407

Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-2-(5,6-difluoro-2-pyridin-2-ylbenzimidazol-1-yl)acetamide?
The IUPAC name of N,N-dicyclohexyl-2-(5,6-difluoro-2-pyridin-2-ylbenzimidazol-1-yl)acetamide (CID 175290164) is N,N-dicyclohexyl-2-(5,6-difluoro-2-pyridin-2-ylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N,N-dicyclohexyl-2-(5,6-difluoro-2-pyridin-2-ylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N,N-dicyclohexyl-2-(5,6-difluoro-2-pyridin-2-ylbenzimidazol-1-yl)acetamide is O=C(Cn1c(-c2ccccn2)nc2cc(F)c(F)cc21)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N,N-dicyclohexyl-2-(5,6-difluoro-2-pyridin-2-ylbenzimidazol-1-yl)acetamide?
The InChIKey is BBYFHLNYYUPXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F2N4O/c27-20-15-23-24(16-21(20)28)31(26(30-23)22-13-7-8-14-29-22)17-25(33)32(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h7-8,13-16,18-19H,1-6,9-12,17H2.
What are the key properties of N,N-dicyclohexyl-2-(5,6-difluoro-2-pyridin-2-ylbenzimidazol-1-yl)acetamide?
N,N-dicyclohexyl-2-(5,6-difluoro-2-pyridin-2-ylbenzimidazol-1-yl)acetamide has a molecular weight of 452.55 g/mol, XLogP of 5.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-2-(5,6-difluoro-2-pyridin-2-ylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 175290164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).