N,2-dicyclohexyl-2-[2-(4-methoxy-3,5-dimethylphenyl)benzimidazol-1-yl]acetamide

C30H39N3O2 — CID 68698002

IUPACN,2-dicyclohexyl-2-[2-(4-methoxy-3,5-dimethylphenyl)benzimidazol-1-yl]acetamide
SMILESCOc1c(C)cc(-c2nc3ccccc3n2C(C(=O)NC2CCCCC2)C2CCCCC2)cc1C
InChIInChI=1S/C30H39N3O2/c1-20-18-23(19-21(2)28(20)35-3)29-32-25-16-10-11-17-26(25)33(29)27(22-12-6-4-7-13-22)30(34)31-24-14-8-5-9-15-24/h10-11,16-19,22,24,27H,4-9,12-15H2,1-3H3,(H,31,34)
InChIKeySONAYFBHZLYSNC-UHFFFAOYSA-N
MW473.66 g/mol
LogP6.90
Rot. Bonds6

About N,2-dicyclohexyl-2-[2-(4-methoxy-3,5-dimethylphenyl)benzimidazol-1-yl]acetamide

N,2-dicyclohexyl-2-[2-(4-methoxy-3,5-dimethylphenyl)benzimidazol-1-yl]acetamide (PubChem CID 68698002) has the molecular formula C30H39N3O2 and a molecular weight of 473.66 g/mol. Its IUPAC name is N,2-dicyclohexyl-2-[2-(4-methoxy-3,5-dimethylphenyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN,2-dicyclohexyl-2-[2-(4-methoxy-3,5-dimethylphenyl)benzimidazol-1-yl]acetamide
PubChem CID68698002
Molecular FormulaC30H39N3O2
Molecular Weight473.66 g/mol
Exact Mass473.30
IUPAC NameN,2-dicyclohexyl-2-[2-(4-methoxy-3,5-dimethylphenyl)benzimidazol-1-yl]acetamide
SMILESCOc1c(C)cc(-c2nc3ccccc3n2C(C(=O)NC2CCCCC2)C2CCCCC2)cc1C
InChIInChI=1S/C30H39N3O2/c1-20-18-23(19-21(2)28(20)35-3)29-32-25-16-10-11-17-26(25)33(29)27(22-12-6-4-7-13-22)30(34)31-24-14-8-5-9-15-24/h10-11,16-19,22,24,27H,4-9,12-15H2,1-3H3,(H,31,34)
InChIKeySONAYFBHZLYSNC-UHFFFAOYSA-N
XLogP6.90
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.66
LogP ≤ 56.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-dicyclohexyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 68694070
N,2-dicyclohexyl-2-(2-phenylbenzimidazol-1-yl)acetamide
CID 68689707
N,2-dicyclohexyl-2-[2-(3-methylsulfonylphenyl)benzimidazol-1-yl]acetamide
CID 68692288
(2S)-N,2-dicyclohexyl-2-[2-[4-(hydroxymethyl)phenyl]benzimidazol-1-yl]acetamide
CID 25133131
N,2-dicyclohexyl-2-[2-(5-methyl-1,2-oxazol-4-yl)benzimidazol-1-yl]acetamide
CID 68693676
N,2-dicyclohexyl-2-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]benzimidazol-1-yl]acetamide
CID 68693949
N,2-dicyclohexyl-2-[2-[4-(1,2,4-triazol-4-yl)phenyl]benzimidazol-1-yl]acetamide;hydron;chloride
CID 68693854
(2S)-2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-cyclohexyl-2-(oxan-4-yl)acetamide
CID 68694608
N,2-dicyclohexyl-2-[2-(furan-2-yl)benzimidazol-1-yl]acetamide
CID 68694561
N,2-dicyclohexyl-2-[2-(3-thiophen-2-ylphenyl)benzimidazol-1-yl]acetamide;hydrochloride
CID 68695803
N,2-dicyclohexyl-2-[2-(2-ethyl-5-methylpyrazol-3-yl)benzimidazol-1-yl]acetamide
CID 68698346
N,2-dicyclohexyl-2-[2-[3-(2H-tetrazol-5-yl)phenyl]benzimidazol-1-yl]acetamide;hydron;chloride
CID 68693887

Frequently Asked Questions

What is the IUPAC name of N,2-dicyclohexyl-2-[2-(4-methoxy-3,5-dimethylphenyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N,2-dicyclohexyl-2-[2-(4-methoxy-3,5-dimethylphenyl)benzimidazol-1-yl]acetamide (CID 68698002) is N,2-dicyclohexyl-2-[2-(4-methoxy-3,5-dimethylphenyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N,2-dicyclohexyl-2-[2-(4-methoxy-3,5-dimethylphenyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N,2-dicyclohexyl-2-[2-(4-methoxy-3,5-dimethylphenyl)benzimidazol-1-yl]acetamide is COc1c(C)cc(-c2nc3ccccc3n2C(C(=O)NC2CCCCC2)C2CCCCC2)cc1C.
What is the InChIKey of N,2-dicyclohexyl-2-[2-(4-methoxy-3,5-dimethylphenyl)benzimidazol-1-yl]acetamide?
The InChIKey is SONAYFBHZLYSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N3O2/c1-20-18-23(19-21(2)28(20)35-3)29-32-25-16-10-11-17-26(25)33(29)27(22-12-6-4-7-13-22)30(34)31-24-14-8-5-9-15-24/h10-11,16-19,22,24,27H,4-9,12-15H2,1-3H3,(H,31,34).
What are the key properties of N,2-dicyclohexyl-2-[2-(4-methoxy-3,5-dimethylphenyl)benzimidazol-1-yl]acetamide?
N,2-dicyclohexyl-2-[2-(4-methoxy-3,5-dimethylphenyl)benzimidazol-1-yl]acetamide has a molecular weight of 473.66 g/mol, XLogP of 6.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dicyclohexyl-2-[2-(4-methoxy-3,5-dimethylphenyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 68698002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).