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

C23H30N4O2 — CID 155538927

IUPAC2-[[4-(cyclohexylmethoxy)-1H-benzimidazol-2-yl]methyl-(pyridin-4-ylmethyl)amino]ethanol
SMILESOCCN(Cc1ccncc1)Cc1nc2c(OCC3CCCCC3)cccc2[nH]1
InChIInChI=1S/C23H30N4O2/c28-14-13-27(15-18-9-11-24-12-10-18)16-22-25-20-7-4-8-21(23(20)26-22)29-17-19-5-2-1-3-6-19/h4,7-12,19,28H,1-3,5-6,13-17H2,(H,25,26)
InChIKeyDXOFAXVJODXDAE-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.91
Rot. Bonds9

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

2-[[4-(cyclohexylmethoxy)-1H-benzimidazol-2-yl]methyl-(pyridin-4-ylmethyl)amino]ethanol (PubChem CID 155538927) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-[[4-(cyclohexylmethoxy)-1H-benzimidazol-2-yl]methyl-(pyridin-4-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[4-(cyclohexylmethoxy)-1H-benzimidazol-2-yl]methyl-(pyridin-4-ylmethyl)amino]ethanol
PubChem CID155538927
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name2-[[4-(cyclohexylmethoxy)-1H-benzimidazol-2-yl]methyl-(pyridin-4-ylmethyl)amino]ethanol
SMILESOCCN(Cc1ccncc1)Cc1nc2c(OCC3CCCCC3)cccc2[nH]1
InChIInChI=1S/C23H30N4O2/c28-14-13-27(15-18-9-11-24-12-10-18)16-22-25-20-7-4-8-21(23(20)26-22)29-17-19-5-2-1-3-6-19/h4,7-12,19,28H,1-3,5-6,13-17H2,(H,25,26)
InChIKeyDXOFAXVJODXDAE-UHFFFAOYSA-N
XLogP3.91
TPSA74.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.91
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-(pyridin-4-ylmethyl)amino]ethanol?
The IUPAC name of 2-[[4-(cyclohexylmethoxy)-1H-benzimidazol-2-yl]methyl-(pyridin-4-ylmethyl)amino]ethanol (CID 155538927) is 2-[[4-(cyclohexylmethoxy)-1H-benzimidazol-2-yl]methyl-(pyridin-4-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[[4-(cyclohexylmethoxy)-1H-benzimidazol-2-yl]methyl-(pyridin-4-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[[4-(cyclohexylmethoxy)-1H-benzimidazol-2-yl]methyl-(pyridin-4-ylmethyl)amino]ethanol is OCCN(Cc1ccncc1)Cc1nc2c(OCC3CCCCC3)cccc2[nH]1.
What is the InChIKey of 2-[[4-(cyclohexylmethoxy)-1H-benzimidazol-2-yl]methyl-(pyridin-4-ylmethyl)amino]ethanol?
The InChIKey is DXOFAXVJODXDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c28-14-13-27(15-18-9-11-24-12-10-18)16-22-25-20-7-4-8-21(23(20)26-22)29-17-19-5-2-1-3-6-19/h4,7-12,19,28H,1-3,5-6,13-17H2,(H,25,26).
What are the key properties of 2-[[4-(cyclohexylmethoxy)-1H-benzimidazol-2-yl]methyl-(pyridin-4-ylmethyl)amino]ethanol?
2-[[4-(cyclohexylmethoxy)-1H-benzimidazol-2-yl]methyl-(pyridin-4-ylmethyl)amino]ethanol has a molecular weight of 394.52 g/mol, XLogP of 3.91, 9 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-(pyridin-4-ylmethyl)amino]ethanol is sourced from PubChem (CID 155538927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).