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

C16H18N4O — CID 115527844

IUPAC2-(1-ethylbenzimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanol
SMILESCCn1c(CC(O)c2ccnc(C)n2)nc2ccccc21
InChIInChI=1S/C16H18N4O/c1-3-20-14-7-5-4-6-12(14)19-16(20)10-15(21)13-8-9-17-11(2)18-13/h4-9,15,21H,3,10H2,1-2H3
InChIKeyZXYSHSMEGVHPRA-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.43
Rot. Bonds4

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

2-(1-ethylbenzimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanol (PubChem CID 115527844) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-(1-ethylbenzimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanol.

Molecular Properties

Compound Name2-(1-ethylbenzimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanol
PubChem CID115527844
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name2-(1-ethylbenzimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanol
SMILESCCn1c(CC(O)c2ccnc(C)n2)nc2ccccc21
InChIInChI=1S/C16H18N4O/c1-3-20-14-7-5-4-6-12(14)19-16(20)10-15(21)13-8-9-17-11(2)18-13/h4-9,15,21H,3,10H2,1-2H3
InChIKeyZXYSHSMEGVHPRA-UHFFFAOYSA-N
XLogP2.43
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1-ethylbenzimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-ethylbenzimidazol-2-yl)-1-(2-methyl-4-pyridinyl)ethanol
CID 106756272
1-(1-ethylbenzimidazol-2-yl)propan-2-ol
CID 79753828
2-(1-ethylbenzimidazol-2-yl)-1-(5-methylfuran-3-yl)ethanol
CID 115818572
2-(1-ethylbenzimidazol-2-yl)-1-(5-methyl-3-pyridinyl)ethanol
CID 105111618
2-(1-ethylbenzimidazol-2-yl)-1-(4-fluorophenyl)ethanol
CID 79754584
2-(1-propylbenzimidazol-2-yl)-1-pyrazin-2-ylethanol
CID 79755891
2-(1-ethylbenzimidazol-2-yl)-1-(4-iodophenyl)ethanol
CID 115818620
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylpyrimidin-4-amine
CID 135109990
1-(5-chloro-1,3-thiazol-2-yl)-2-(1-ethylbenzimidazol-2-yl)ethanol
CID 107125122
2-(1-ethylbenzimidazol-2-yl)-1-pyridin-2-ylethanamine
CID 79753548
3-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methoxypentan-2-ol
CID 116752874
2-(1-ethylbenzimidazol-2-yl)-1-(1-methylpyrazol-4-yl)ethanol
CID 79753821

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylbenzimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanol?
The IUPAC name of 2-(1-ethylbenzimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanol (CID 115527844) is 2-(1-ethylbenzimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanol.
What is the SMILES notation for 2-(1-ethylbenzimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanol?
The canonical SMILES for 2-(1-ethylbenzimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanol is CCn1c(CC(O)c2ccnc(C)n2)nc2ccccc21.
What is the InChIKey of 2-(1-ethylbenzimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanol?
The InChIKey is ZXYSHSMEGVHPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-3-20-14-7-5-4-6-12(14)19-16(20)10-15(21)13-8-9-17-11(2)18-13/h4-9,15,21H,3,10H2,1-2H3.
What are the key properties of 2-(1-ethylbenzimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanol?
2-(1-ethylbenzimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanol has a molecular weight of 282.35 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylbenzimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanol is sourced from PubChem (CID 115527844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).