2-[5-[2-(3-ethylimidazol-4-yl)imidazol-1-yl]benzimidazol-1-yl]ethanol

C17H18N6O — CID 138386691

IUPAC2-[5-[2-(3-ethylimidazol-4-yl)imidazol-1-yl]benzimidazol-1-yl]ethanol
SMILESCCn1cncc1-c1nccn1-c1ccc2c(c1)ncn2CCO
InChIInChI=1S/C17H18N6O/c1-2-21-11-18-10-16(21)17-19-5-6-23(17)13-3-4-15-14(9-13)20-12-22(15)7-8-24/h3-6,9-12,24H,2,7-8H2,1H3
InChIKeyRXQLHNRPPWXPJP-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.10
Rot. Bonds5

About 2-[5-[2-(3-ethylimidazol-4-yl)imidazol-1-yl]benzimidazol-1-yl]ethanol

2-[5-[2-(3-ethylimidazol-4-yl)imidazol-1-yl]benzimidazol-1-yl]ethanol (PubChem CID 138386691) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-[5-[2-(3-ethylimidazol-4-yl)imidazol-1-yl]benzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[2-(3-ethylimidazol-4-yl)imidazol-1-yl]benzimidazol-1-yl]ethanol
PubChem CID138386691
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name2-[5-[2-(3-ethylimidazol-4-yl)imidazol-1-yl]benzimidazol-1-yl]ethanol
SMILESCCn1cncc1-c1nccn1-c1ccc2c(c1)ncn2CCO
InChIInChI=1S/C17H18N6O/c1-2-21-11-18-10-16(21)17-19-5-6-23(17)13-3-4-15-14(9-13)20-12-22(15)7-8-24/h3-6,9-12,24H,2,7-8H2,1H3
InChIKeyRXQLHNRPPWXPJP-UHFFFAOYSA-N
XLogP2.10
TPSA73.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[1-[1-(2-hydroxyethyl)benzimidazol-5-yl]imidazol-2-yl]-3-methoxyphenol
CID 138377916
2-[5-[2-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)imidazol-1-yl]benzimidazol-1-yl]ethanol
CID 138385007
2-[5-[2-[2-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]benzimidazol-1-yl]ethanol
CID 138808259
2-[5-[2-(1,3-benzodioxol-5-yl)imidazol-1-yl]benzimidazol-1-yl]ethanol
CID 70708364
[6-[2-(3-methylimidazol-4-yl)imidazol-1-yl]-1H-benzimidazol-2-yl]methanol
CID 138806757
2-(5-tert-butylbenzimidazol-1-yl)ethanol
CID 176701659
2-[5-[1-(3-methylphenyl)imidazol-2-yl]-4-phenylimidazol-1-yl]ethanol
CID 50971250
2-[5-[5-methyl-2-(3-methylphenyl)-1,2,4-triazol-3-yl]benzimidazol-1-yl]ethanol
CID 50958161
1-ethyl-5-isocyanobenzimidazole
CID 140845990
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1-(2-hydroxyethyl)benzimidazole-5-carboxamide
CID 91769261
1-ethylbenzimidazol-5-amine;dihydrochloride
CID 46735992
1-ethyl-N-(pyridin-4-ylmethyl)benzimidazol-5-amine
CID 866291

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(3-ethylimidazol-4-yl)imidazol-1-yl]benzimidazol-1-yl]ethanol?
The IUPAC name of 2-[5-[2-(3-ethylimidazol-4-yl)imidazol-1-yl]benzimidazol-1-yl]ethanol (CID 138386691) is 2-[5-[2-(3-ethylimidazol-4-yl)imidazol-1-yl]benzimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[2-(3-ethylimidazol-4-yl)imidazol-1-yl]benzimidazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[2-(3-ethylimidazol-4-yl)imidazol-1-yl]benzimidazol-1-yl]ethanol is CCn1cncc1-c1nccn1-c1ccc2c(c1)ncn2CCO.
What is the InChIKey of 2-[5-[2-(3-ethylimidazol-4-yl)imidazol-1-yl]benzimidazol-1-yl]ethanol?
The InChIKey is RXQLHNRPPWXPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c1-2-21-11-18-10-16(21)17-19-5-6-23(17)13-3-4-15-14(9-13)20-12-22(15)7-8-24/h3-6,9-12,24H,2,7-8H2,1H3.
What are the key properties of 2-[5-[2-(3-ethylimidazol-4-yl)imidazol-1-yl]benzimidazol-1-yl]ethanol?
2-[5-[2-(3-ethylimidazol-4-yl)imidazol-1-yl]benzimidazol-1-yl]ethanol has a molecular weight of 322.37 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(3-ethylimidazol-4-yl)imidazol-1-yl]benzimidazol-1-yl]ethanol is sourced from PubChem (CID 138386691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).