N,N-dicyclohexyl-2-[2-(3-fluorophenyl)benzimidazol-1-yl]acetamide

C27H32FN3O — CID 175290021

IUPACN,N-dicyclohexyl-2-[2-(3-fluorophenyl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(-c2cccc(F)c2)nc2ccccc21)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C27H32FN3O/c28-21-11-9-10-20(18-21)27-29-24-16-7-8-17-25(24)30(27)19-26(32)31(22-12-3-1-4-13-22)23-14-5-2-6-15-23/h7-11,16-18,22-23H,1-6,12-15,19H2
InChIKeyUTWLOQMIMCMUJL-UHFFFAOYSA-N
MW433.57 g/mol
LogP6.34
Rot. Bonds5

About N,N-dicyclohexyl-2-[2-(3-fluorophenyl)benzimidazol-1-yl]acetamide

N,N-dicyclohexyl-2-[2-(3-fluorophenyl)benzimidazol-1-yl]acetamide (PubChem CID 175290021) has the molecular formula C27H32FN3O and a molecular weight of 433.57 g/mol. Its IUPAC name is N,N-dicyclohexyl-2-[2-(3-fluorophenyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-2-[2-(3-fluorophenyl)benzimidazol-1-yl]acetamide
PubChem CID175290021
Molecular FormulaC27H32FN3O
Molecular Weight433.57 g/mol
Exact Mass433.25
IUPAC NameN,N-dicyclohexyl-2-[2-(3-fluorophenyl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(-c2cccc(F)c2)nc2ccccc21)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C27H32FN3O/c28-21-11-9-10-20(18-21)27-29-24-16-7-8-17-25(24)30(27)19-26(32)31(22-12-3-1-4-13-22)23-14-5-2-6-15-23/h7-11,16-18,22-23H,1-6,12-15,19H2
InChIKeyUTWLOQMIMCMUJL-UHFFFAOYSA-N
XLogP6.34
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.57
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dicyclohexyl-2-(2-naphthalen-2-ylbenzimidazol-1-yl)acetamide
CID 174570409
N,N-dicyclohexyl-2-[2-(3-fluoro-4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 175290003
N,N-dicyclohexyl-2-[2-(6-methyl-3-pyridinyl)benzimidazol-1-yl]acetamide
CID 175290062
N,N-dicyclohexyl-2-[2-(2,3-difluorophenyl)-6-fluorobenzimidazol-1-yl]acetamide
CID 175290124
N-cyclohexyl-N-methyl-2-[2-(4-methylphenyl)benzimidazol-1-yl]acetamide
CID 17000965
N,N-dicyclohexyl-2-[2-(2,3-dimethoxyphenyl)benzimidazol-1-yl]acetamide
CID 175290073
N-benzyl-2-[2-(3-chlorophenyl)benzimidazol-1-yl]-N-cyclohexylacetamide
CID 17002085
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-[(4-phenylphenyl)methyl]benzimidazol-1-yl]acetamide
CID 16987501
N,N-dicyclohexyl-2-[2-(5-methyl-1H-indol-2-yl)benzimidazol-1-yl]acetamide
CID 175290138
2-(3-fluorophenyl)-1-(2-methylprop-2-enyl)benzimidazole
CID 143449401

Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-2-[2-(3-fluorophenyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N,N-dicyclohexyl-2-[2-(3-fluorophenyl)benzimidazol-1-yl]acetamide (CID 175290021) is N,N-dicyclohexyl-2-[2-(3-fluorophenyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N,N-dicyclohexyl-2-[2-(3-fluorophenyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N,N-dicyclohexyl-2-[2-(3-fluorophenyl)benzimidazol-1-yl]acetamide is O=C(Cn1c(-c2cccc(F)c2)nc2ccccc21)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N,N-dicyclohexyl-2-[2-(3-fluorophenyl)benzimidazol-1-yl]acetamide?
The InChIKey is UTWLOQMIMCMUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN3O/c28-21-11-9-10-20(18-21)27-29-24-16-7-8-17-25(24)30(27)19-26(32)31(22-12-3-1-4-13-22)23-14-5-2-6-15-23/h7-11,16-18,22-23H,1-6,12-15,19H2.
What are the key properties of N,N-dicyclohexyl-2-[2-(3-fluorophenyl)benzimidazol-1-yl]acetamide?
N,N-dicyclohexyl-2-[2-(3-fluorophenyl)benzimidazol-1-yl]acetamide has a molecular weight of 433.57 g/mol, XLogP of 6.34, 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-(3-fluorophenyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 175290021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).