2,2-dicyclohexyl-2-[2-(2,4-dimethoxyphenyl)-4-methyl-1,3-dihydrobenzimidazol-2-yl]acetamide

C30H41N3O3 — CID 68885930

IUPAC2,2-dicyclohexyl-2-[2-(2,4-dimethoxyphenyl)-4-methyl-1,3-dihydrobenzimidazol-2-yl]acetamide
SMILESCOc1ccc(C2(C(C(N)=O)(C3CCCCC3)C3CCCCC3)Nc3cccc(C)c3N2)c(OC)c1
InChIInChI=1S/C30H41N3O3/c1-20-11-10-16-25-27(20)33-30(32-25,24-18-17-23(35-2)19-26(24)36-3)29(28(31)34,21-12-6-4-7-13-21)22-14-8-5-9-15-22/h10-11,16-19,21-22,32-33H,4-9,12-15H2,1-3H3,(H2,31,34)
InChIKeySDYFRKAQJFDEPQ-UHFFFAOYSA-N
MW491.68 g/mol
LogP6.33
Rot. Bonds7

About 2,2-dicyclohexyl-2-[2-(2,4-dimethoxyphenyl)-4-methyl-1,3-dihydrobenzimidazol-2-yl]acetamide

2,2-dicyclohexyl-2-[2-(2,4-dimethoxyphenyl)-4-methyl-1,3-dihydrobenzimidazol-2-yl]acetamide (PubChem CID 68885930) has the molecular formula C30H41N3O3 and a molecular weight of 491.68 g/mol. Its IUPAC name is 2,2-dicyclohexyl-2-[2-(2,4-dimethoxyphenyl)-4-methyl-1,3-dihydrobenzimidazol-2-yl]acetamide.

Molecular Properties

Compound Name2,2-dicyclohexyl-2-[2-(2,4-dimethoxyphenyl)-4-methyl-1,3-dihydrobenzimidazol-2-yl]acetamide
PubChem CID68885930
Molecular FormulaC30H41N3O3
Molecular Weight491.68 g/mol
Exact Mass491.31
IUPAC Name2,2-dicyclohexyl-2-[2-(2,4-dimethoxyphenyl)-4-methyl-1,3-dihydrobenzimidazol-2-yl]acetamide
SMILESCOc1ccc(C2(C(C(N)=O)(C3CCCCC3)C3CCCCC3)Nc3cccc(C)c3N2)c(OC)c1
InChIInChI=1S/C30H41N3O3/c1-20-11-10-16-25-27(20)33-30(32-25,24-18-17-23(35-2)19-26(24)36-3)29(28(31)34,21-12-6-4-7-13-21)22-14-8-5-9-15-22/h10-11,16-19,21-22,32-33H,4-9,12-15H2,1-3H3,(H2,31,34)
InChIKeySDYFRKAQJFDEPQ-UHFFFAOYSA-N
XLogP6.33
TPSA85.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.68
LogP ≤ 56.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-dicyclohexyl-2-[5,6-dichloro-2-(2,4-dimethoxyphenyl)-1,3-dihydrobenzimidazol-2-yl]acetamide
CID 68890872
7-(2,4-dimethoxyphenyl)bicyclo[4.1.0]heptan-7-ol
CID 79331273
methyl 4-(2,4-dimethoxyphenyl)-4-methylpyrrolidine-3-carboxylate
CID 114486449
benzyl (4R)-4-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1101054
6-methoxy-1,2,3,4,4a,9,9a,10-octahydroacridine-9-carboxylic acid
CID 115008152
2,2-dicyclohexyl-2-[2-(2,4-dimethoxyphenyl)-5,6-difluorobenzimidazol-1-yl]acetamide
CID 175290099
2-(2,4-dimethoxyphenyl)-2-hydroxypropanamide
CID 62215379
3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one
CID 46360616
ethyl (4R)-4-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 675136
2-(2,4-dimethoxyphenyl)cycloheptan-1-ol
CID 62800812
2-cyclohexyloxy-4-methoxybenzoic acid
CID 61269041
CID 159051946
CID 159051946

Frequently Asked Questions

What is the IUPAC name of 2,2-dicyclohexyl-2-[2-(2,4-dimethoxyphenyl)-4-methyl-1,3-dihydrobenzimidazol-2-yl]acetamide?
The IUPAC name of 2,2-dicyclohexyl-2-[2-(2,4-dimethoxyphenyl)-4-methyl-1,3-dihydrobenzimidazol-2-yl]acetamide (CID 68885930) is 2,2-dicyclohexyl-2-[2-(2,4-dimethoxyphenyl)-4-methyl-1,3-dihydrobenzimidazol-2-yl]acetamide.
What is the SMILES notation for 2,2-dicyclohexyl-2-[2-(2,4-dimethoxyphenyl)-4-methyl-1,3-dihydrobenzimidazol-2-yl]acetamide?
The canonical SMILES for 2,2-dicyclohexyl-2-[2-(2,4-dimethoxyphenyl)-4-methyl-1,3-dihydrobenzimidazol-2-yl]acetamide is COc1ccc(C2(C(C(N)=O)(C3CCCCC3)C3CCCCC3)Nc3cccc(C)c3N2)c(OC)c1.
What is the InChIKey of 2,2-dicyclohexyl-2-[2-(2,4-dimethoxyphenyl)-4-methyl-1,3-dihydrobenzimidazol-2-yl]acetamide?
The InChIKey is SDYFRKAQJFDEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N3O3/c1-20-11-10-16-25-27(20)33-30(32-25,24-18-17-23(35-2)19-26(24)36-3)29(28(31)34,21-12-6-4-7-13-21)22-14-8-5-9-15-22/h10-11,16-19,21-22,32-33H,4-9,12-15H2,1-3H3,(H2,31,34).
What are the key properties of 2,2-dicyclohexyl-2-[2-(2,4-dimethoxyphenyl)-4-methyl-1,3-dihydrobenzimidazol-2-yl]acetamide?
2,2-dicyclohexyl-2-[2-(2,4-dimethoxyphenyl)-4-methyl-1,3-dihydrobenzimidazol-2-yl]acetamide has a molecular weight of 491.68 g/mol, XLogP of 6.33, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dicyclohexyl-2-[2-(2,4-dimethoxyphenyl)-4-methyl-1,3-dihydrobenzimidazol-2-yl]acetamide is sourced from PubChem (CID 68885930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).