2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole

C16H16N2O — CID 43236517

IUPAC2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole
SMILESCc1cccc(OCCc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C16H16N2O/c1-12-5-4-6-13(11-12)19-10-9-16-17-14-7-2-3-8-15(14)18-16/h2-8,11H,9-10H2,1H3,(H,17,18)
InChIKeyGZTBPVRVSLUQEG-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.49
Rot. Bonds4

About 2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole

2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole (PubChem CID 43236517) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole
PubChem CID43236517
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole
SMILESCc1cccc(OCCc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C16H16N2O/c1-12-5-4-6-13(11-12)19-10-9-16-17-14-7-2-3-8-15(14)18-16/h2-8,11H,9-10H2,1H3,(H,17,18)
InChIKeyGZTBPVRVSLUQEG-UHFFFAOYSA-N
XLogP3.49
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-dimethyl-2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole
CID 82940636
6-methyl-2-[2-(3-methylphenoxy)ethyl]-1H-imidazo[4,5-b]pyridine
CID 79795712
N-(1H-benzimidazol-2-yl)-4-(3-methylphenoxy)butanamide
CID 2472289
4,5-difluoro-2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole
CID 115911909
N-methyl-2-[2-(3-methylphenoxy)ethyl]-1H-imidazo[4,5-b]pyridin-5-amine
CID 79817012
N-[3-(1H-benzimidazol-2-yl)propyl]-2-(3-methylphenoxy)propanamide
CID 134032853
2-amino-6-[2-(3-methylphenoxy)ethyl]-1H-1,3,5-triazine-4-thione
CID 83241772
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(3-methylphenoxy)butanamide
CID 46601910
O-[2-(1H-benzimidazol-2-yl)ethyl]hydroxylamine
CID 142734516
6-methoxy-2-[(3-methylphenoxy)methyl]-1H-benzimidazole
CID 27408365
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-propoxybenzamide
CID 21008909
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole?
The IUPAC name of 2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole (CID 43236517) is 2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole.
What is the SMILES notation for 2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole?
The canonical SMILES for 2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole is Cc1cccc(OCCc2nc3ccccc3[nH]2)c1.
What is the InChIKey of 2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole?
The InChIKey is GZTBPVRVSLUQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-12-5-4-6-13(11-12)19-10-9-16-17-14-7-2-3-8-15(14)18-16/h2-8,11H,9-10H2,1H3,(H,17,18).
What are the key properties of 2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole?
2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole has a molecular weight of 252.32 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole is sourced from PubChem (CID 43236517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).