N-[2-cyclohexyl-6-(dimethylamino)-3H-benzimidazol-5-yl]-2-(4-methoxyphenyl)acetamide

C24H30N4O2 — CID 72793662

IUPACN-[2-cyclohexyl-6-(dimethylamino)-3H-benzimidazol-5-yl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cc3[nH]c(C4CCCCC4)nc3cc2N(C)C)cc1
InChIInChI=1S/C24H30N4O2/c1-28(2)22-15-20-19(26-24(27-20)17-7-5-4-6-8-17)14-21(22)25-23(29)13-16-9-11-18(30-3)12-10-16/h9-12,14-15,17H,4-8,13H2,1-3H3,(H,25,29)(H,26,27)
InChIKeyIJSPQDZHSOPTAI-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.87
Rot. Bonds6

About N-[2-cyclohexyl-6-(dimethylamino)-3H-benzimidazol-5-yl]-2-(4-methoxyphenyl)acetamide

N-[2-cyclohexyl-6-(dimethylamino)-3H-benzimidazol-5-yl]-2-(4-methoxyphenyl)acetamide (PubChem CID 72793662) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-[2-cyclohexyl-6-(dimethylamino)-3H-benzimidazol-5-yl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-cyclohexyl-6-(dimethylamino)-3H-benzimidazol-5-yl]-2-(4-methoxyphenyl)acetamide
PubChem CID72793662
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC NameN-[2-cyclohexyl-6-(dimethylamino)-3H-benzimidazol-5-yl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cc3[nH]c(C4CCCCC4)nc3cc2N(C)C)cc1
InChIInChI=1S/C24H30N4O2/c1-28(2)22-15-20-19(26-24(27-20)17-7-5-4-6-8-17)14-21(22)25-23(29)13-16-9-11-18(30-3)12-10-16/h9-12,14-15,17H,4-8,13H2,1-3H3,(H,25,29)(H,26,27)
InChIKeyIJSPQDZHSOPTAI-UHFFFAOYSA-N
XLogP4.87
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-cyclohexyl-6-(dimethylamino)-3H-benzimidazol-5-yl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[2-cyclohexyl-6-(dimethylamino)-3H-benzimidazol-5-yl]-2-(4-methoxyphenyl)acetamide (CID 72793662) is N-[2-cyclohexyl-6-(dimethylamino)-3H-benzimidazol-5-yl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[2-cyclohexyl-6-(dimethylamino)-3H-benzimidazol-5-yl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[2-cyclohexyl-6-(dimethylamino)-3H-benzimidazol-5-yl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2cc3[nH]c(C4CCCCC4)nc3cc2N(C)C)cc1.
What is the InChIKey of N-[2-cyclohexyl-6-(dimethylamino)-3H-benzimidazol-5-yl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is IJSPQDZHSOPTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-28(2)22-15-20-19(26-24(27-20)17-7-5-4-6-8-17)14-21(22)25-23(29)13-16-9-11-18(30-3)12-10-16/h9-12,14-15,17H,4-8,13H2,1-3H3,(H,25,29)(H,26,27).
What are the key properties of N-[2-cyclohexyl-6-(dimethylamino)-3H-benzimidazol-5-yl]-2-(4-methoxyphenyl)acetamide?
N-[2-cyclohexyl-6-(dimethylamino)-3H-benzimidazol-5-yl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 406.53 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclohexyl-6-(dimethylamino)-3H-benzimidazol-5-yl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 72793662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).