2-(1-propylbenzimidazol-2-yl)-1-pyrazin-2-ylethanol

C16H18N4O — CID 79755891

IUPAC2-(1-propylbenzimidazol-2-yl)-1-pyrazin-2-ylethanol
SMILESCCCn1c(CC(O)c2cnccn2)nc2ccccc21
InChIInChI=1S/C16H18N4O/c1-2-9-20-14-6-4-3-5-12(14)19-16(20)10-15(21)13-11-17-7-8-18-13/h3-8,11,15,21H,2,9-10H2,1H3
InChIKeyHOQJFTNTXPYQDS-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.51
Rot. Bonds5

About 2-(1-propylbenzimidazol-2-yl)-1-pyrazin-2-ylethanol

2-(1-propylbenzimidazol-2-yl)-1-pyrazin-2-ylethanol (PubChem CID 79755891) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-(1-propylbenzimidazol-2-yl)-1-pyrazin-2-ylethanol.

Molecular Properties

Compound Name2-(1-propylbenzimidazol-2-yl)-1-pyrazin-2-ylethanol
PubChem CID79755891
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name2-(1-propylbenzimidazol-2-yl)-1-pyrazin-2-ylethanol
SMILESCCCn1c(CC(O)c2cnccn2)nc2ccccc21
InChIInChI=1S/C16H18N4O/c1-2-9-20-14-6-4-3-5-12(14)19-16(20)10-15(21)13-11-17-7-8-18-13/h3-8,11,15,21H,2,9-10H2,1H3
InChIKeyHOQJFTNTXPYQDS-UHFFFAOYSA-N
XLogP2.51
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-ethylbenzimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanol
CID 115527844
1-(5-chlorofuran-2-yl)-2-(1-propylbenzimidazol-2-yl)ethanol
CID 106693864
3-methoxy-1-(1-propylbenzimidazol-2-yl)butan-2-ol
CID 79753547
1-(dimethylamino)-3-(1-propylbenzimidazol-2-yl)propan-2-ol
CID 79754270
2-(1-propylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanamine
CID 79756292
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
1-cyclobutyl-3-(1-propylbenzimidazol-2-yl)propan-2-ol
CID 103170121
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
N,3,3-trimethyl-1-(1-propylbenzimidazol-2-yl)pentan-2-amine
CID 105007167
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

Frequently Asked Questions

What is the IUPAC name of 2-(1-propylbenzimidazol-2-yl)-1-pyrazin-2-ylethanol?
The IUPAC name of 2-(1-propylbenzimidazol-2-yl)-1-pyrazin-2-ylethanol (CID 79755891) is 2-(1-propylbenzimidazol-2-yl)-1-pyrazin-2-ylethanol.
What is the SMILES notation for 2-(1-propylbenzimidazol-2-yl)-1-pyrazin-2-ylethanol?
The canonical SMILES for 2-(1-propylbenzimidazol-2-yl)-1-pyrazin-2-ylethanol is CCCn1c(CC(O)c2cnccn2)nc2ccccc21.
What is the InChIKey of 2-(1-propylbenzimidazol-2-yl)-1-pyrazin-2-ylethanol?
The InChIKey is HOQJFTNTXPYQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-2-9-20-14-6-4-3-5-12(14)19-16(20)10-15(21)13-11-17-7-8-18-13/h3-8,11,15,21H,2,9-10H2,1H3.
What are the key properties of 2-(1-propylbenzimidazol-2-yl)-1-pyrazin-2-ylethanol?
2-(1-propylbenzimidazol-2-yl)-1-pyrazin-2-ylethanol has a molecular weight of 282.35 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propylbenzimidazol-2-yl)-1-pyrazin-2-ylethanol is sourced from PubChem (CID 79755891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).