1-(1-ethylbenzimidazol-2-yl)-4-(furan-2-yl)butan-2-ol

C17H20N2O2 — CID 105111628

IUPAC1-(1-ethylbenzimidazol-2-yl)-4-(furan-2-yl)butan-2-ol
SMILESCCn1c(CC(O)CCc2ccco2)nc2ccccc21
InChIInChI=1S/C17H20N2O2/c1-2-19-16-8-4-3-7-15(16)18-17(19)12-13(20)9-10-14-6-5-11-21-14/h3-8,11,13,20H,2,9-10,12H2,1H3
InChIKeyUMMCRXXWSYGALK-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.19
Rot. Bonds6

About 1-(1-ethylbenzimidazol-2-yl)-4-(furan-2-yl)butan-2-ol

1-(1-ethylbenzimidazol-2-yl)-4-(furan-2-yl)butan-2-ol (PubChem CID 105111628) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(1-ethylbenzimidazol-2-yl)-4-(furan-2-yl)butan-2-ol.

Molecular Properties

Compound Name1-(1-ethylbenzimidazol-2-yl)-4-(furan-2-yl)butan-2-ol
PubChem CID105111628
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-(1-ethylbenzimidazol-2-yl)-4-(furan-2-yl)butan-2-ol
SMILESCCn1c(CC(O)CCc2ccco2)nc2ccccc21
InChIInChI=1S/C17H20N2O2/c1-2-19-16-8-4-3-7-15(16)18-17(19)12-13(20)9-10-14-6-5-11-21-14/h3-8,11,13,20H,2,9-10,12H2,1H3
InChIKeyUMMCRXXWSYGALK-UHFFFAOYSA-N
XLogP3.19
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
4-(2,2-difluoroethoxy)-1-(1-ethylbenzimidazol-2-yl)butan-2-ol
CID 103147708
1-(1-ethylbenzimidazol-2-yl)-4-methoxy-4-methylpentan-2-ol
CID 103027615
2-(1-ethylbenzimidazol-2-yl)-1-(5-methylfuran-3-yl)ethanol
CID 115818572
1,1-diethoxy-3-(1-ethylbenzimidazol-2-yl)propan-2-ol
CID 79756098
6-(1-ethylbenzimidazol-2-yl)-2-methylhexan-3-ol
CID 79750581
2-(1-ethylbenzimidazol-2-yl)-1-(4-fluorophenyl)ethanol
CID 79754584
ethane;2-(1-ethylbenzimidazol-2-yl)ethanol
CID 142101886
2-(1-ethylbenzimidazol-2-yl)-1-(4-iodophenyl)ethanol
CID 115818620
3-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methoxypentan-2-ol
CID 116752874
2-(1-ethylbenzimidazol-2-yl)-1-(oxan-4-yl)ethanol
CID 79753249

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylbenzimidazol-2-yl)-4-(furan-2-yl)butan-2-ol?
The IUPAC name of 1-(1-ethylbenzimidazol-2-yl)-4-(furan-2-yl)butan-2-ol (CID 105111628) is 1-(1-ethylbenzimidazol-2-yl)-4-(furan-2-yl)butan-2-ol.
What is the SMILES notation for 1-(1-ethylbenzimidazol-2-yl)-4-(furan-2-yl)butan-2-ol?
The canonical SMILES for 1-(1-ethylbenzimidazol-2-yl)-4-(furan-2-yl)butan-2-ol is CCn1c(CC(O)CCc2ccco2)nc2ccccc21.
What is the InChIKey of 1-(1-ethylbenzimidazol-2-yl)-4-(furan-2-yl)butan-2-ol?
The InChIKey is UMMCRXXWSYGALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-2-19-16-8-4-3-7-15(16)18-17(19)12-13(20)9-10-14-6-5-11-21-14/h3-8,11,13,20H,2,9-10,12H2,1H3.
What are the key properties of 1-(1-ethylbenzimidazol-2-yl)-4-(furan-2-yl)butan-2-ol?
1-(1-ethylbenzimidazol-2-yl)-4-(furan-2-yl)butan-2-ol has a molecular weight of 284.36 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylbenzimidazol-2-yl)-4-(furan-2-yl)butan-2-ol is sourced from PubChem (CID 105111628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).