4-(2,2-difluoroethoxy)-1-(1-ethylbenzimidazol-2-yl)butan-2-ol

C15H20F2N2O2 — CID 103147708

IUPAC4-(2,2-difluoroethoxy)-1-(1-ethylbenzimidazol-2-yl)butan-2-ol
SMILESCCn1c(CC(O)CCOCC(F)F)nc2ccccc21
InChIInChI=1S/C15H20F2N2O2/c1-2-19-13-6-4-3-5-12(13)18-15(19)9-11(20)7-8-21-10-14(16)17/h3-6,11,14,20H,2,7-10H2,1H3
InChIKeyAEPNMHAYTIWRHZ-UHFFFAOYSA-N
MW298.33 g/mol
LogP2.63
Rot. Bonds8

About 4-(2,2-difluoroethoxy)-1-(1-ethylbenzimidazol-2-yl)butan-2-ol

4-(2,2-difluoroethoxy)-1-(1-ethylbenzimidazol-2-yl)butan-2-ol (PubChem CID 103147708) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-1-(1-ethylbenzimidazol-2-yl)butan-2-ol.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-1-(1-ethylbenzimidazol-2-yl)butan-2-ol
PubChem CID103147708
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC Name4-(2,2-difluoroethoxy)-1-(1-ethylbenzimidazol-2-yl)butan-2-ol
SMILESCCn1c(CC(O)CCOCC(F)F)nc2ccccc21
InChIInChI=1S/C15H20F2N2O2/c1-2-19-13-6-4-3-5-12(13)18-15(19)9-11(20)7-8-21-10-14(16)17/h3-6,11,14,20H,2,7-10H2,1H3
InChIKeyAEPNMHAYTIWRHZ-UHFFFAOYSA-N
XLogP2.63
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1-ethylbenzimidazol-2-yl)-4-methoxybutan-2-ol
CID 79754353
1-(1-ethylbenzimidazol-2-yl)propan-2-ol
CID 79753828
1-(1-ethylbenzimidazol-2-yl)-4-methoxy-4-methylpentan-2-ol
CID 103027615
4-ethoxy-1-(1-ethylbenzimidazol-2-yl)butan-2-amine
CID 105164972
1-(1-ethylbenzimidazol-2-yl)-4-(furan-2-yl)butan-2-ol
CID 105111628
1,1-diethoxy-3-(1-ethylbenzimidazol-2-yl)propan-2-ol
CID 79756098
2-(1-ethylbenzimidazol-2-yl)-1-(4-fluorophenyl)ethanol
CID 79754584
2-(chloromethyl)-1-[2-(2,2-difluoroethoxy)ethyl]benzimidazole
CID 114128388
1-(1-methylbenzimidazol-2-yl)-3-propoxypropan-2-ol
CID 79753857
N-ethyl-3-(1-ethylbenzimidazol-2-yl)-1,1-difluoropropan-2-amine
CID 103516859
3-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methoxypentan-2-ol
CID 116752874
3-(1-ethylbenzimidazol-2-yl)-1,1-difluoro-N-propylpropan-2-amine
CID 103516858

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxy)-1-(1-ethylbenzimidazol-2-yl)butan-2-ol?
The IUPAC name of 4-(2,2-difluoroethoxy)-1-(1-ethylbenzimidazol-2-yl)butan-2-ol (CID 103147708) is 4-(2,2-difluoroethoxy)-1-(1-ethylbenzimidazol-2-yl)butan-2-ol.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-1-(1-ethylbenzimidazol-2-yl)butan-2-ol?
The canonical SMILES for 4-(2,2-difluoroethoxy)-1-(1-ethylbenzimidazol-2-yl)butan-2-ol is CCn1c(CC(O)CCOCC(F)F)nc2ccccc21.
What is the InChIKey of 4-(2,2-difluoroethoxy)-1-(1-ethylbenzimidazol-2-yl)butan-2-ol?
The InChIKey is AEPNMHAYTIWRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c1-2-19-13-6-4-3-5-12(13)18-15(19)9-11(20)7-8-21-10-14(16)17/h3-6,11,14,20H,2,7-10H2,1H3.
What are the key properties of 4-(2,2-difluoroethoxy)-1-(1-ethylbenzimidazol-2-yl)butan-2-ol?
4-(2,2-difluoroethoxy)-1-(1-ethylbenzimidazol-2-yl)butan-2-ol has a molecular weight of 298.33 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)-1-(1-ethylbenzimidazol-2-yl)butan-2-ol is sourced from PubChem (CID 103147708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).