4-[1-[1-(2-hydroxyethyl)benzimidazol-5-yl]imidazol-2-yl]-3-methoxyphenol

C19H18N4O3 — CID 138377916

IUPAC4-[1-[1-(2-hydroxyethyl)benzimidazol-5-yl]imidazol-2-yl]-3-methoxyphenol
SMILESCOc1cc(O)ccc1-c1nccn1-c1ccc2c(c1)ncn2CCO
InChIInChI=1S/C19H18N4O3/c1-26-18-11-14(25)3-4-15(18)19-20-6-7-23(19)13-2-5-17-16(10-13)21-12-22(17)8-9-24/h2-7,10-12,24-25H,8-9H2,1H3
InChIKeyBODLBMRUANQJAE-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.60
Rot. Bonds5

About 4-[1-[1-(2-hydroxyethyl)benzimidazol-5-yl]imidazol-2-yl]-3-methoxyphenol

4-[1-[1-(2-hydroxyethyl)benzimidazol-5-yl]imidazol-2-yl]-3-methoxyphenol (PubChem CID 138377916) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 4-[1-[1-(2-hydroxyethyl)benzimidazol-5-yl]imidazol-2-yl]-3-methoxyphenol.

Molecular Properties

Compound Name4-[1-[1-(2-hydroxyethyl)benzimidazol-5-yl]imidazol-2-yl]-3-methoxyphenol
PubChem CID138377916
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name4-[1-[1-(2-hydroxyethyl)benzimidazol-5-yl]imidazol-2-yl]-3-methoxyphenol
SMILESCOc1cc(O)ccc1-c1nccn1-c1ccc2c(c1)ncn2CCO
InChIInChI=1S/C19H18N4O3/c1-26-18-11-14(25)3-4-15(18)19-20-6-7-23(19)13-2-5-17-16(10-13)21-12-22(17)8-9-24/h2-7,10-12,24-25H,8-9H2,1H3
InChIKeyBODLBMRUANQJAE-UHFFFAOYSA-N
XLogP2.60
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-[2-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)imidazol-1-yl]benzimidazol-1-yl]ethanol
CID 138385007
2-[5-[2-(3-ethylimidazol-4-yl)imidazol-1-yl]benzimidazol-1-yl]ethanol
CID 138386691
4-methoxy-3-[1-(1-methylbenzotriazol-5-yl)imidazol-2-yl]phenol
CID 138807117
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
2-(5-tert-butylbenzimidazol-1-yl)ethanol
CID 176701659
2-(2-methoxyphenyl)-1-(4-methylphenyl)imidazole
CID 141122425
2-[5-[1-(3-methylphenyl)imidazol-2-yl]-4-phenylimidazol-1-yl]ethanol
CID 50971250
[3-(2-methoxy-4-methylphenyl)-1-methylpyrazol-5-yl]methyl N-(1-ethylbenzimidazol-5-yl)carbamate
CID 89459734
1-[(dimethylamino)methyl]benzimidazol-5-ol
CID 175490360
3-methoxy-4-(3-methylpyrazin-2-yl)phenol
CID 136981278
6-[2-(4-methoxy-3-methylphenyl)imidazol-1-yl]quinoxaline
CID 56880029

Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-(2-hydroxyethyl)benzimidazol-5-yl]imidazol-2-yl]-3-methoxyphenol?
The IUPAC name of 4-[1-[1-(2-hydroxyethyl)benzimidazol-5-yl]imidazol-2-yl]-3-methoxyphenol (CID 138377916) is 4-[1-[1-(2-hydroxyethyl)benzimidazol-5-yl]imidazol-2-yl]-3-methoxyphenol.
What is the SMILES notation for 4-[1-[1-(2-hydroxyethyl)benzimidazol-5-yl]imidazol-2-yl]-3-methoxyphenol?
The canonical SMILES for 4-[1-[1-(2-hydroxyethyl)benzimidazol-5-yl]imidazol-2-yl]-3-methoxyphenol is COc1cc(O)ccc1-c1nccn1-c1ccc2c(c1)ncn2CCO.
What is the InChIKey of 4-[1-[1-(2-hydroxyethyl)benzimidazol-5-yl]imidazol-2-yl]-3-methoxyphenol?
The InChIKey is BODLBMRUANQJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-26-18-11-14(25)3-4-15(18)19-20-6-7-23(19)13-2-5-17-16(10-13)21-12-22(17)8-9-24/h2-7,10-12,24-25H,8-9H2,1H3.
What are the key properties of 4-[1-[1-(2-hydroxyethyl)benzimidazol-5-yl]imidazol-2-yl]-3-methoxyphenol?
4-[1-[1-(2-hydroxyethyl)benzimidazol-5-yl]imidazol-2-yl]-3-methoxyphenol has a molecular weight of 350.38 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[1-(2-hydroxyethyl)benzimidazol-5-yl]imidazol-2-yl]-3-methoxyphenol is sourced from PubChem (CID 138377916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).