2-(1H-benzimidazol-2-yl)-2-(4,4-dimethoxycyclohexyl)ethanamine

C17H25N3O2 — CID 83976004

IUPAC2-(1H-benzimidazol-2-yl)-2-(4,4-dimethoxycyclohexyl)ethanamine
SMILESCOC1(OC)CCC(C(CN)c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C17H25N3O2/c1-21-17(22-2)9-7-12(8-10-17)13(11-18)16-19-14-5-3-4-6-15(14)20-16/h3-6,12-13H,7-11,18H2,1-2H3,(H,19,20)
InChIKeyPEGPPFOIVTYKRV-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.78
Rot. Bonds5

About 2-(1H-benzimidazol-2-yl)-2-(4,4-dimethoxycyclohexyl)ethanamine

2-(1H-benzimidazol-2-yl)-2-(4,4-dimethoxycyclohexyl)ethanamine (PubChem CID 83976004) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-2-(4,4-dimethoxycyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-2-(4,4-dimethoxycyclohexyl)ethanamine
PubChem CID83976004
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name2-(1H-benzimidazol-2-yl)-2-(4,4-dimethoxycyclohexyl)ethanamine
SMILESCOC1(OC)CCC(C(CN)c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C17H25N3O2/c1-21-17(22-2)9-7-12(8-10-17)13(11-18)16-19-14-5-3-4-6-15(14)20-16/h3-6,12-13H,7-11,18H2,1-2H3,(H,19,20)
InChIKeyPEGPPFOIVTYKRV-UHFFFAOYSA-N
XLogP2.78
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(1H-benzimidazol-2-yl)-2-(1-propylpiperidin-4-yl)ethanamine
CID 83976007
2-(1,3-benzothiazol-2-yl)-2-(4,4-dimethoxycyclohexyl)ethanamine
CID 83976239
2-(1H-benzimidazol-2-yl)-2-(1-benzylpiperidin-4-yl)ethanamine
CID 83975997
2-(4,4-dimethoxycyclohexyl)-2-thiophen-2-ylethanamine
CID 83975901
1H-benzimidazol-2-yl(piperidin-4-yl)methanamine
CID 69063940
[(1S)-1-(1H-benzimidazol-2-yl)propyl]azanium
CID 6955866
1-(1H-benzimidazol-2-yl)-N,N-diethylethane-1,2-diamine
CID 54300780
[1-(1H-benzimidazol-2-yl)-4-methylcyclohexyl]methanamine
CID 113310412
(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropan-1-amine;dihydrochloride
CID 112756298
2-propan-2-yl-1H-benzimidazole
CID 22121
1-(1H-benzimidazol-2-yl)-N-(cyclohexylmethyl)ethanamine
CID 60665119
2-(1H-benzimidazol-2-yl)-2-methoxyacetamide
CID 118108500

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-2-(4,4-dimethoxycyclohexyl)ethanamine?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-2-(4,4-dimethoxycyclohexyl)ethanamine (CID 83976004) is 2-(1H-benzimidazol-2-yl)-2-(4,4-dimethoxycyclohexyl)ethanamine.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-2-(4,4-dimethoxycyclohexyl)ethanamine?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-2-(4,4-dimethoxycyclohexyl)ethanamine is COC1(OC)CCC(C(CN)c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-2-(4,4-dimethoxycyclohexyl)ethanamine?
The InChIKey is PEGPPFOIVTYKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-21-17(22-2)9-7-12(8-10-17)13(11-18)16-19-14-5-3-4-6-15(14)20-16/h3-6,12-13H,7-11,18H2,1-2H3,(H,19,20).
What are the key properties of 2-(1H-benzimidazol-2-yl)-2-(4,4-dimethoxycyclohexyl)ethanamine?
2-(1H-benzimidazol-2-yl)-2-(4,4-dimethoxycyclohexyl)ethanamine has a molecular weight of 303.41 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-2-(4,4-dimethoxycyclohexyl)ethanamine is sourced from PubChem (CID 83976004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).