2-(1-ethylbenzimidazol-2-yl)-1-(4-iodophenyl)ethanol

C17H17IN2O — CID 115818620

IUPAC2-(1-ethylbenzimidazol-2-yl)-1-(4-iodophenyl)ethanol
SMILESCCn1c(CC(O)c2ccc(I)cc2)nc2ccccc21
InChIInChI=1S/C17H17IN2O/c1-2-20-15-6-4-3-5-14(15)19-17(20)11-16(21)12-7-9-13(18)10-8-12/h3-10,16,21H,2,11H2,1H3
InChIKeyNDYWTWJOFBGUBS-UHFFFAOYSA-N
MW392.24 g/mol
LogP3.94
Rot. Bonds4

About 2-(1-ethylbenzimidazol-2-yl)-1-(4-iodophenyl)ethanol

2-(1-ethylbenzimidazol-2-yl)-1-(4-iodophenyl)ethanol (PubChem CID 115818620) has the molecular formula C17H17IN2O and a molecular weight of 392.24 g/mol. Its IUPAC name is 2-(1-ethylbenzimidazol-2-yl)-1-(4-iodophenyl)ethanol.

Molecular Properties

Compound Name2-(1-ethylbenzimidazol-2-yl)-1-(4-iodophenyl)ethanol
PubChem CID115818620
Molecular FormulaC17H17IN2O
Molecular Weight392.24 g/mol
Exact Mass392.04
IUPAC Name2-(1-ethylbenzimidazol-2-yl)-1-(4-iodophenyl)ethanol
SMILESCCn1c(CC(O)c2ccc(I)cc2)nc2ccccc21
InChIInChI=1S/C17H17IN2O/c1-2-20-15-6-4-3-5-14(15)19-17(20)11-16(21)12-7-9-13(18)10-8-12/h3-10,16,21H,2,11H2,1H3
InChIKeyNDYWTWJOFBGUBS-UHFFFAOYSA-N
XLogP3.94
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.24
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-ethylbenzimidazol-2-yl)-1-(4-fluorophenyl)ethanol
CID 79754584
2-(1-ethylbenzimidazol-2-yl)-1-(3-iodophenyl)ethanol
CID 115818522
1-(1-ethylbenzimidazol-2-yl)propan-2-ol
CID 79753828
2-(1-ethylbenzimidazol-2-yl)-1-(1-methylpyrazol-4-yl)ethanol
CID 79753821
2-(1-ethylbenzimidazol-2-yl)-1-(5-methylfuran-3-yl)ethanol
CID 115818572
2-(1-ethylbenzimidazol-2-yl)-1-(2-methyl-4-pyridinyl)ethanol
CID 106756272
2-(1-ethylbenzimidazol-2-yl)-1-(5-methyl-3-pyridinyl)ethanol
CID 105111618
2-(1-ethylbenzimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanol
CID 115527844
1,1-diethoxy-3-(1-ethylbenzimidazol-2-yl)propan-2-ol
CID 79756098
1-(5-chloro-1,3-thiazol-2-yl)-2-(1-ethylbenzimidazol-2-yl)ethanol
CID 107125122
3-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methoxypentan-2-ol
CID 116752874
1-(1-ethylbenzimidazol-2-yl)-4-methoxybutan-2-ol
CID 79754353

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylbenzimidazol-2-yl)-1-(4-iodophenyl)ethanol?
The IUPAC name of 2-(1-ethylbenzimidazol-2-yl)-1-(4-iodophenyl)ethanol (CID 115818620) is 2-(1-ethylbenzimidazol-2-yl)-1-(4-iodophenyl)ethanol.
What is the SMILES notation for 2-(1-ethylbenzimidazol-2-yl)-1-(4-iodophenyl)ethanol?
The canonical SMILES for 2-(1-ethylbenzimidazol-2-yl)-1-(4-iodophenyl)ethanol is CCn1c(CC(O)c2ccc(I)cc2)nc2ccccc21.
What is the InChIKey of 2-(1-ethylbenzimidazol-2-yl)-1-(4-iodophenyl)ethanol?
The InChIKey is NDYWTWJOFBGUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17IN2O/c1-2-20-15-6-4-3-5-14(15)19-17(20)11-16(21)12-7-9-13(18)10-8-12/h3-10,16,21H,2,11H2,1H3.
What are the key properties of 2-(1-ethylbenzimidazol-2-yl)-1-(4-iodophenyl)ethanol?
2-(1-ethylbenzimidazol-2-yl)-1-(4-iodophenyl)ethanol has a molecular weight of 392.24 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylbenzimidazol-2-yl)-1-(4-iodophenyl)ethanol is sourced from PubChem (CID 115818620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).