N,2-dicyclohexyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide

C28H35N3O2 — CID 68694070

IUPACN,2-dicyclohexyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
SMILESCOc1ccc(-c2nc3ccccc3n2C(C(=O)NC2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C28H35N3O2/c1-33-23-18-16-21(17-19-23)27-30-24-14-8-9-15-25(24)31(27)26(20-10-4-2-5-11-20)28(32)29-22-12-6-3-7-13-22/h8-9,14-20,22,26H,2-7,10-13H2,1H3,(H,29,32)
InChIKeyPKOAQWPCFKEBHS-UHFFFAOYSA-N
MW445.61 g/mol
LogP6.28
Rot. Bonds6

About N,2-dicyclohexyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide

N,2-dicyclohexyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide (PubChem CID 68694070) has the molecular formula C28H35N3O2 and a molecular weight of 445.61 g/mol. Its IUPAC name is N,2-dicyclohexyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN,2-dicyclohexyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
PubChem CID68694070
Molecular FormulaC28H35N3O2
Molecular Weight445.61 g/mol
Exact Mass445.27
IUPAC NameN,2-dicyclohexyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
SMILESCOc1ccc(-c2nc3ccccc3n2C(C(=O)NC2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C28H35N3O2/c1-33-23-18-16-21(17-19-23)27-30-24-14-8-9-15-25(24)31(27)26(20-10-4-2-5-11-20)28(32)29-22-12-6-3-7-13-22/h8-9,14-20,22,26H,2-7,10-13H2,1H3,(H,29,32)
InChIKeyPKOAQWPCFKEBHS-UHFFFAOYSA-N
XLogP6.28
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.61
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-dicyclohexyl-2-(2-phenylbenzimidazol-1-yl)acetamide
CID 68689707
N,2-dicyclohexyl-2-[2-(4-methoxy-3,5-dimethylphenyl)benzimidazol-1-yl]acetamide
CID 68698002
(2S)-N,2-dicyclohexyl-2-[2-[4-(hydroxymethyl)phenyl]benzimidazol-1-yl]acetamide
CID 25133131
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-(3-methylsulfonylphenyl)benzimidazol-1-yl]acetamide
CID 68692288
N,2-dicyclohexyl-2-[2-(furan-2-yl)benzimidazol-1-yl]acetamide
CID 68694561
(2S)-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-methylacetamide
CID 126962423
N,2-dicyclohexyl-2-[2-(5-methyl-1,2-oxazol-4-yl)benzimidazol-1-yl]acetamide
CID 68693676
N,2-dicyclohexyl-2-[2-(3-thiophen-2-ylphenyl)benzimidazol-1-yl]acetamide;hydrochloride
CID 68695803
methyl 4-[1-[1-cyclohexyl-2-[(4-methoxy-4-oxobutyl)amino]-2-oxoethyl]benzimidazol-2-yl]benzoate
CID 68695594

Frequently Asked Questions

What is the IUPAC name of N,2-dicyclohexyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N,2-dicyclohexyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide (CID 68694070) is N,2-dicyclohexyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N,2-dicyclohexyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N,2-dicyclohexyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide is COc1ccc(-c2nc3ccccc3n2C(C(=O)NC2CCCCC2)C2CCCCC2)cc1.
What is the InChIKey of N,2-dicyclohexyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide?
The InChIKey is PKOAQWPCFKEBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O2/c1-33-23-18-16-21(17-19-23)27-30-24-14-8-9-15-25(24)31(27)26(20-10-4-2-5-11-20)28(32)29-22-12-6-3-7-13-22/h8-9,14-20,22,26H,2-7,10-13H2,1H3,(H,29,32).
What are the key properties of N,2-dicyclohexyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide?
N,2-dicyclohexyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide has a molecular weight of 445.61 g/mol, XLogP of 6.28, 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-methoxyphenyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 68694070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).