2-[[4-(cyclohexylmethoxy)-1H-benzimidazol-2-yl]methyl-[(4-methoxyphenyl)methyl]amino]ethanol

C25H33N3O3 — CID 155513500

IUPAC2-[[4-(cyclohexylmethoxy)-1H-benzimidazol-2-yl]methyl-[(4-methoxyphenyl)methyl]amino]ethanol
SMILESCOc1ccc(CN(CCO)Cc2nc3c(OCC4CCCCC4)cccc3[nH]2)cc1
InChIInChI=1S/C25H33N3O3/c1-30-21-12-10-19(11-13-21)16-28(14-15-29)17-24-26-22-8-5-9-23(25(22)27-24)31-18-20-6-3-2-4-7-20/h5,8-13,20,29H,2-4,6-7,14-18H2,1H3,(H,26,27)
InChIKeyZDAHXPHBNYETGJ-UHFFFAOYSA-N
MW423.56 g/mol
LogP4.53
Rot. Bonds10

About 2-[[4-(cyclohexylmethoxy)-1H-benzimidazol-2-yl]methyl-[(4-methoxyphenyl)methyl]amino]ethanol

2-[[4-(cyclohexylmethoxy)-1H-benzimidazol-2-yl]methyl-[(4-methoxyphenyl)methyl]amino]ethanol (PubChem CID 155513500) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is 2-[[4-(cyclohexylmethoxy)-1H-benzimidazol-2-yl]methyl-[(4-methoxyphenyl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-(cyclohexylmethoxy)-1H-benzimidazol-2-yl]methyl-[(4-methoxyphenyl)methyl]amino]ethanol
PubChem CID155513500
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC Name2-[[4-(cyclohexylmethoxy)-1H-benzimidazol-2-yl]methyl-[(4-methoxyphenyl)methyl]amino]ethanol
SMILESCOc1ccc(CN(CCO)Cc2nc3c(OCC4CCCCC4)cccc3[nH]2)cc1
InChIInChI=1S/C25H33N3O3/c1-30-21-12-10-19(11-13-21)16-28(14-15-29)17-24-26-22-8-5-9-23(25(22)27-24)31-18-20-6-3-2-4-7-20/h5,8-13,20,29H,2-4,6-7,14-18H2,1H3,(H,26,27)
InChIKeyZDAHXPHBNYETGJ-UHFFFAOYSA-N
XLogP4.53
TPSA70.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(cyclohexylmethoxy)-1H-benzimidazol-2-yl]methyl-[(4-methoxyphenyl)methyl]amino]ethanol?
The IUPAC name of 2-[[4-(cyclohexylmethoxy)-1H-benzimidazol-2-yl]methyl-[(4-methoxyphenyl)methyl]amino]ethanol (CID 155513500) is 2-[[4-(cyclohexylmethoxy)-1H-benzimidazol-2-yl]methyl-[(4-methoxyphenyl)methyl]amino]ethanol.
What is the SMILES notation for 2-[[4-(cyclohexylmethoxy)-1H-benzimidazol-2-yl]methyl-[(4-methoxyphenyl)methyl]amino]ethanol?
The canonical SMILES for 2-[[4-(cyclohexylmethoxy)-1H-benzimidazol-2-yl]methyl-[(4-methoxyphenyl)methyl]amino]ethanol is COc1ccc(CN(CCO)Cc2nc3c(OCC4CCCCC4)cccc3[nH]2)cc1.
What is the InChIKey of 2-[[4-(cyclohexylmethoxy)-1H-benzimidazol-2-yl]methyl-[(4-methoxyphenyl)methyl]amino]ethanol?
The InChIKey is ZDAHXPHBNYETGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-30-21-12-10-19(11-13-21)16-28(14-15-29)17-24-26-22-8-5-9-23(25(22)27-24)31-18-20-6-3-2-4-7-20/h5,8-13,20,29H,2-4,6-7,14-18H2,1H3,(H,26,27).
What are the key properties of 2-[[4-(cyclohexylmethoxy)-1H-benzimidazol-2-yl]methyl-[(4-methoxyphenyl)methyl]amino]ethanol?
2-[[4-(cyclohexylmethoxy)-1H-benzimidazol-2-yl]methyl-[(4-methoxyphenyl)methyl]amino]ethanol has a molecular weight of 423.56 g/mol, XLogP of 4.53, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(cyclohexylmethoxy)-1H-benzimidazol-2-yl]methyl-[(4-methoxyphenyl)methyl]amino]ethanol is sourced from PubChem (CID 155513500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).