2,2-dicyclohexyl-2-[2-[3-(dimethylamino)phenyl]-6-fluorobenzimidazol-1-yl]acetamide

C29H37FN4O — CID 175290132

IUPAC2,2-dicyclohexyl-2-[2-[3-(dimethylamino)phenyl]-6-fluorobenzimidazol-1-yl]acetamide
SMILESCN(C)c1cccc(-c2nc3ccc(F)cc3n2C(C(N)=O)(C2CCCCC2)C2CCCCC2)c1
InChIInChI=1S/C29H37FN4O/c1-33(2)24-15-9-10-20(18-24)27-32-25-17-16-23(30)19-26(25)34(27)29(28(31)35,21-11-5-3-6-12-21)22-13-7-4-8-14-22/h9-10,15-19,21-22H,3-8,11-14H2,1-2H3,(H2,31,35)
InChIKeyAIYAOEVADKSWOV-UHFFFAOYSA-N
MW476.64 g/mol
LogP6.25
Rot. Bonds6

About 2,2-dicyclohexyl-2-[2-[3-(dimethylamino)phenyl]-6-fluorobenzimidazol-1-yl]acetamide

2,2-dicyclohexyl-2-[2-[3-(dimethylamino)phenyl]-6-fluorobenzimidazol-1-yl]acetamide (PubChem CID 175290132) has the molecular formula C29H37FN4O and a molecular weight of 476.64 g/mol. Its IUPAC name is 2,2-dicyclohexyl-2-[2-[3-(dimethylamino)phenyl]-6-fluorobenzimidazol-1-yl]acetamide.

Molecular Properties

Compound Name2,2-dicyclohexyl-2-[2-[3-(dimethylamino)phenyl]-6-fluorobenzimidazol-1-yl]acetamide
PubChem CID175290132
Molecular FormulaC29H37FN4O
Molecular Weight476.64 g/mol
Exact Mass476.30
IUPAC Name2,2-dicyclohexyl-2-[2-[3-(dimethylamino)phenyl]-6-fluorobenzimidazol-1-yl]acetamide
SMILESCN(C)c1cccc(-c2nc3ccc(F)cc3n2C(C(N)=O)(C2CCCCC2)C2CCCCC2)c1
InChIInChI=1S/C29H37FN4O/c1-33(2)24-15-9-10-20(18-24)27-32-25-17-16-23(30)19-26(25)34(27)29(28(31)35,21-11-5-3-6-12-21)22-13-7-4-8-14-22/h9-10,15-19,21-22H,3-8,11-14H2,1-2H3,(H2,31,35)
InChIKeyAIYAOEVADKSWOV-UHFFFAOYSA-N
XLogP6.25
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.64
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dicyclohexyl-2-[2-[3-(dimethylamino)phenyl]benzimidazol-1-yl]acetamide
CID 175290170
2,2-dicyclohexyl-2-[6-fluoro-2-(3-methyl-1,2-oxazol-5-yl)benzimidazol-1-yl]acetamide
CID 175290029
2,2-dicyclohexyl-2-[2-(2,6-difluorophenyl)benzimidazol-1-yl]acetamide
CID 175289983
2,2-dicyclohexyl-2-[2-[4-(diethylamino)phenyl]benzimidazol-1-yl]acetamide
CID 175290161
2,2-dicyclohexyl-2-[2-(2,3,4-trifluorophenyl)benzimidazol-1-yl]acetamide
CID 175290131
2,2-dicyclohexyl-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide
CID 174799086
2,2-dicyclohexyl-2-[2-(1H-pyrrol-2-yl)benzimidazol-1-yl]acetamide
CID 175377923
2,2-dicyclohexyl-2-[2-(2,4-dimethoxyphenyl)-5,6-difluorobenzimidazol-1-yl]acetamide
CID 175290099
3-[1-(2-amino-1,1-dicyclohexyl-2-oxoethyl)-5-fluorobenzimidazol-2-yl]propanoic acid
CID 67984401
2,2-dicyclohexyl-2-[2-[4-(1H-pyrazol-4-yl)phenyl]benzimidazol-1-yl]acetamide;hydrochloride
CID 175388863
2,2-dicyclohexyl-2-[2-(4-imidazol-1-ylphenyl)benzimidazol-1-yl]acetamide;hydrochloride
CID 68957984
N,N-dicyclohexyl-2-[2-(3-fluorophenyl)benzimidazol-1-yl]acetamide
CID 175290021

Frequently Asked Questions

What is the IUPAC name of 2,2-dicyclohexyl-2-[2-[3-(dimethylamino)phenyl]-6-fluorobenzimidazol-1-yl]acetamide?
The IUPAC name of 2,2-dicyclohexyl-2-[2-[3-(dimethylamino)phenyl]-6-fluorobenzimidazol-1-yl]acetamide (CID 175290132) is 2,2-dicyclohexyl-2-[2-[3-(dimethylamino)phenyl]-6-fluorobenzimidazol-1-yl]acetamide.
What is the SMILES notation for 2,2-dicyclohexyl-2-[2-[3-(dimethylamino)phenyl]-6-fluorobenzimidazol-1-yl]acetamide?
The canonical SMILES for 2,2-dicyclohexyl-2-[2-[3-(dimethylamino)phenyl]-6-fluorobenzimidazol-1-yl]acetamide is CN(C)c1cccc(-c2nc3ccc(F)cc3n2C(C(N)=O)(C2CCCCC2)C2CCCCC2)c1.
What is the InChIKey of 2,2-dicyclohexyl-2-[2-[3-(dimethylamino)phenyl]-6-fluorobenzimidazol-1-yl]acetamide?
The InChIKey is AIYAOEVADKSWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37FN4O/c1-33(2)24-15-9-10-20(18-24)27-32-25-17-16-23(30)19-26(25)34(27)29(28(31)35,21-11-5-3-6-12-21)22-13-7-4-8-14-22/h9-10,15-19,21-22H,3-8,11-14H2,1-2H3,(H2,31,35).
What are the key properties of 2,2-dicyclohexyl-2-[2-[3-(dimethylamino)phenyl]-6-fluorobenzimidazol-1-yl]acetamide?
2,2-dicyclohexyl-2-[2-[3-(dimethylamino)phenyl]-6-fluorobenzimidazol-1-yl]acetamide has a molecular weight of 476.64 g/mol, XLogP of 6.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dicyclohexyl-2-[2-[3-(dimethylamino)phenyl]-6-fluorobenzimidazol-1-yl]acetamide is sourced from PubChem (CID 175290132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).