1-(5-chlorofuran-2-yl)-2-(1-propylbenzimidazol-2-yl)ethanol

C16H17ClN2O2 — CID 106693864

IUPAC1-(5-chlorofuran-2-yl)-2-(1-propylbenzimidazol-2-yl)ethanol
SMILESCCCn1c(CC(O)c2ccc(Cl)o2)nc2ccccc21
InChIInChI=1S/C16H17ClN2O2/c1-2-9-19-12-6-4-3-5-11(12)18-16(19)10-13(20)14-7-8-15(17)21-14/h3-8,13,20H,2,9-10H2,1H3
InChIKeyNAFVRBZCUCTEPL-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.97
Rot. Bonds5

About 1-(5-chlorofuran-2-yl)-2-(1-propylbenzimidazol-2-yl)ethanol

1-(5-chlorofuran-2-yl)-2-(1-propylbenzimidazol-2-yl)ethanol (PubChem CID 106693864) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 1-(5-chlorofuran-2-yl)-2-(1-propylbenzimidazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(5-chlorofuran-2-yl)-2-(1-propylbenzimidazol-2-yl)ethanol
PubChem CID106693864
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name1-(5-chlorofuran-2-yl)-2-(1-propylbenzimidazol-2-yl)ethanol
SMILESCCCn1c(CC(O)c2ccc(Cl)o2)nc2ccccc21
InChIInChI=1S/C16H17ClN2O2/c1-2-9-19-12-6-4-3-5-11(12)18-16(19)10-13(20)14-7-8-15(17)21-14/h3-8,13,20H,2,9-10H2,1H3
InChIKeyNAFVRBZCUCTEPL-UHFFFAOYSA-N
XLogP3.97
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-1-(1-propylbenzimidazol-2-yl)butan-2-ol
CID 79753547
2-(1-propylbenzimidazol-2-yl)-1-pyrazin-2-ylethanol
CID 79755891
1-(dimethylamino)-3-(1-propylbenzimidazol-2-yl)propan-2-ol
CID 79754270
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
[1-(5-chlorofuran-2-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine
CID 106694568
[1-(furan-2-yl)-2-(1-propylbenzimidazol-2-yl)ethyl]hydrazine
CID 105213713
1-(tert-butylamino)-3-(1-propylbenzimidazol-2-yl)propan-2-ol
CID 79757629
1-(3-bicyclo[3.1.0]hexanyl)-2-(1-propylbenzimidazol-2-yl)ethanol
CID 115818146
1-(6-bicyclo[3.1.0]hexanyl)-2-(1-propylbenzimidazol-2-yl)ethanol
CID 115818131
1-tert-butylsulfanyl-3-(1-propylbenzimidazol-2-yl)propan-2-ol
CID 79756075
3-methoxy-3-methyl-1-(1-propylbenzimidazol-2-yl)pentan-2-ol
CID 116752064
3,3-dimethyl-1-(1-propylbenzimidazol-2-yl)butan-2-amine
CID 79754185

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorofuran-2-yl)-2-(1-propylbenzimidazol-2-yl)ethanol?
The IUPAC name of 1-(5-chlorofuran-2-yl)-2-(1-propylbenzimidazol-2-yl)ethanol (CID 106693864) is 1-(5-chlorofuran-2-yl)-2-(1-propylbenzimidazol-2-yl)ethanol.
What is the SMILES notation for 1-(5-chlorofuran-2-yl)-2-(1-propylbenzimidazol-2-yl)ethanol?
The canonical SMILES for 1-(5-chlorofuran-2-yl)-2-(1-propylbenzimidazol-2-yl)ethanol is CCCn1c(CC(O)c2ccc(Cl)o2)nc2ccccc21.
What is the InChIKey of 1-(5-chlorofuran-2-yl)-2-(1-propylbenzimidazol-2-yl)ethanol?
The InChIKey is NAFVRBZCUCTEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-2-9-19-12-6-4-3-5-11(12)18-16(19)10-13(20)14-7-8-15(17)21-14/h3-8,13,20H,2,9-10H2,1H3.
What are the key properties of 1-(5-chlorofuran-2-yl)-2-(1-propylbenzimidazol-2-yl)ethanol?
1-(5-chlorofuran-2-yl)-2-(1-propylbenzimidazol-2-yl)ethanol has a molecular weight of 304.78 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorofuran-2-yl)-2-(1-propylbenzimidazol-2-yl)ethanol is sourced from PubChem (CID 106693864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).