1-(cyclohex-3-en-1-ylmethoxy)-3-(2-ethylbenzimidazol-1-yl)propan-2-ol

C19H26N2O2 — CID 3667908

IUPAC1-(cyclohex-3-en-1-ylmethoxy)-3-(2-ethylbenzimidazol-1-yl)propan-2-ol
SMILESCCc1nc2ccccc2n1CC(O)COCC1CC=CCC1
InChIInChI=1S/C19H26N2O2/c1-2-19-20-17-10-6-7-11-18(17)21(19)12-16(22)14-23-13-15-8-4-3-5-9-15/h3-4,6-7,10-11,15-16,22H,2,5,8-9,12-14H2,1H3
InChIKeyQJONNDBJERMXSZ-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.33
Rot. Bonds7

About 1-(cyclohex-3-en-1-ylmethoxy)-3-(2-ethylbenzimidazol-1-yl)propan-2-ol

1-(cyclohex-3-en-1-ylmethoxy)-3-(2-ethylbenzimidazol-1-yl)propan-2-ol (PubChem CID 3667908) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-(cyclohex-3-en-1-ylmethoxy)-3-(2-ethylbenzimidazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(cyclohex-3-en-1-ylmethoxy)-3-(2-ethylbenzimidazol-1-yl)propan-2-ol
PubChem CID3667908
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name1-(cyclohex-3-en-1-ylmethoxy)-3-(2-ethylbenzimidazol-1-yl)propan-2-ol
SMILESCCc1nc2ccccc2n1CC(O)COCC1CC=CCC1
InChIInChI=1S/C19H26N2O2/c1-2-19-20-17-10-6-7-11-18(17)21(19)12-16(22)14-23-13-15-8-4-3-5-9-15/h3-4,6-7,10-11,15-16,22H,2,5,8-9,12-14H2,1H3
InChIKeyQJONNDBJERMXSZ-UHFFFAOYSA-N
XLogP3.33
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohex-3-en-1-ylmethoxy)-3-(2-ethylbenzimidazol-1-yl)propan-2-ol?
The IUPAC name of 1-(cyclohex-3-en-1-ylmethoxy)-3-(2-ethylbenzimidazol-1-yl)propan-2-ol (CID 3667908) is 1-(cyclohex-3-en-1-ylmethoxy)-3-(2-ethylbenzimidazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(cyclohex-3-en-1-ylmethoxy)-3-(2-ethylbenzimidazol-1-yl)propan-2-ol?
The canonical SMILES for 1-(cyclohex-3-en-1-ylmethoxy)-3-(2-ethylbenzimidazol-1-yl)propan-2-ol is CCc1nc2ccccc2n1CC(O)COCC1CC=CCC1.
What is the InChIKey of 1-(cyclohex-3-en-1-ylmethoxy)-3-(2-ethylbenzimidazol-1-yl)propan-2-ol?
The InChIKey is QJONNDBJERMXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-2-19-20-17-10-6-7-11-18(17)21(19)12-16(22)14-23-13-15-8-4-3-5-9-15/h3-4,6-7,10-11,15-16,22H,2,5,8-9,12-14H2,1H3.
What are the key properties of 1-(cyclohex-3-en-1-ylmethoxy)-3-(2-ethylbenzimidazol-1-yl)propan-2-ol?
1-(cyclohex-3-en-1-ylmethoxy)-3-(2-ethylbenzimidazol-1-yl)propan-2-ol has a molecular weight of 314.43 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohex-3-en-1-ylmethoxy)-3-(2-ethylbenzimidazol-1-yl)propan-2-ol is sourced from PubChem (CID 3667908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).