2-[3-[2-(1,3-dioxolan-2-yl)ethoxy]phenyl]-1H-benzimidazole

C18H18N2O3 — CID 168554940

IUPAC2-[3-[2-(1,3-dioxolan-2-yl)ethoxy]phenyl]-1H-benzimidazole
SMILESc1cc(OCCC2OCCO2)cc(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C18H18N2O3/c1-2-7-16-15(6-1)19-18(20-16)13-4-3-5-14(12-13)21-9-8-17-22-10-11-23-17/h1-7,12,17H,8-11H2,(H,19,20)
InChIKeyPTFKNYOGEIVOCM-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.37
Rot. Bonds5

About 2-[3-[2-(1,3-dioxolan-2-yl)ethoxy]phenyl]-1H-benzimidazole

2-[3-[2-(1,3-dioxolan-2-yl)ethoxy]phenyl]-1H-benzimidazole (PubChem CID 168554940) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-[3-[2-(1,3-dioxolan-2-yl)ethoxy]phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[3-[2-(1,3-dioxolan-2-yl)ethoxy]phenyl]-1H-benzimidazole
PubChem CID168554940
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name2-[3-[2-(1,3-dioxolan-2-yl)ethoxy]phenyl]-1H-benzimidazole
SMILESc1cc(OCCC2OCCO2)cc(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C18H18N2O3/c1-2-7-16-15(6-1)19-18(20-16)13-4-3-5-14(12-13)21-9-8-17-22-10-11-23-17/h1-7,12,17H,8-11H2,(H,19,20)
InChIKeyPTFKNYOGEIVOCM-UHFFFAOYSA-N
XLogP3.37
TPSA56.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-ethoxyphenyl)-1H-benzimidazole
CID 19224120
2-(3-phenoxyphenyl)-1H-benzimidazole
CID 1042921
5-[[3-(1H-benzimidazol-2-yl)phenoxy]methyl]furan-2-carboxylic acid
CID 168554863
2-[4-[10-[4-(1H-benzimidazol-2-yl)phenoxy]decoxy]phenyl]-1H-benzimidazole
CID 56656183
2-[4-[6-[4-(1H-benzimidazol-2-yl)phenoxy]hexoxy]phenyl]-1H-benzimidazole
CID 25255576
2-[4-[3-[4-(1H-benzimidazol-2-yl)phenoxy]propoxy]phenyl]-1H-benzimidazole
CID 24900492
2-[(2-phenyl-3H-benzimidazol-5-yl)oxy]ethanol
CID 84816371
N-[3-(1H-benzimidazol-2-yl)phenyl]-3-butoxybenzamide
CID 15997481
2-(3-butoxyphenyl)-6-methoxy-1H-benzimidazole
CID 110538781
5,6-dichloro-2-(3-propoxyphenyl)-1H-benzimidazole
CID 82005589
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-butoxybenzamide
CID 3114141
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-(3-bromophenoxy)acetamide
CID 18283756

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(1,3-dioxolan-2-yl)ethoxy]phenyl]-1H-benzimidazole?
The IUPAC name of 2-[3-[2-(1,3-dioxolan-2-yl)ethoxy]phenyl]-1H-benzimidazole (CID 168554940) is 2-[3-[2-(1,3-dioxolan-2-yl)ethoxy]phenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[3-[2-(1,3-dioxolan-2-yl)ethoxy]phenyl]-1H-benzimidazole?
The canonical SMILES for 2-[3-[2-(1,3-dioxolan-2-yl)ethoxy]phenyl]-1H-benzimidazole is c1cc(OCCC2OCCO2)cc(-c2nc3ccccc3[nH]2)c1.
What is the InChIKey of 2-[3-[2-(1,3-dioxolan-2-yl)ethoxy]phenyl]-1H-benzimidazole?
The InChIKey is PTFKNYOGEIVOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-2-7-16-15(6-1)19-18(20-16)13-4-3-5-14(12-13)21-9-8-17-22-10-11-23-17/h1-7,12,17H,8-11H2,(H,19,20).
What are the key properties of 2-[3-[2-(1,3-dioxolan-2-yl)ethoxy]phenyl]-1H-benzimidazole?
2-[3-[2-(1,3-dioxolan-2-yl)ethoxy]phenyl]-1H-benzimidazole has a molecular weight of 310.35 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(1,3-dioxolan-2-yl)ethoxy]phenyl]-1H-benzimidazole is sourced from PubChem (CID 168554940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).