2-(3-ethoxyphenyl)-1H-benzimidazole

C15H14N2O — CID 19224120

IUPAC2-(3-ethoxyphenyl)-1H-benzimidazole
SMILESCCOc1cccc(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C15H14N2O/c1-2-18-12-7-5-6-11(10-12)15-16-13-8-3-4-9-14(13)17-15/h3-10H,2H2,1H3,(H,16,17)
InChIKeyVUYYQKQCCPTNOP-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.63
Rot. Bonds3

About 2-(3-ethoxyphenyl)-1H-benzimidazole

2-(3-ethoxyphenyl)-1H-benzimidazole (PubChem CID 19224120) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(3-ethoxyphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(3-ethoxyphenyl)-1H-benzimidazole
PubChem CID19224120
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name2-(3-ethoxyphenyl)-1H-benzimidazole
SMILESCCOc1cccc(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C15H14N2O/c1-2-18-12-7-5-6-11(10-12)15-16-13-8-3-4-9-14(13)17-15/h3-10H,2H2,1H3,(H,16,17)
InChIKeyVUYYQKQCCPTNOP-UHFFFAOYSA-N
XLogP3.63
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-phenoxyphenyl)-1H-benzimidazole
CID 1042921
methyl 2-(3-ethoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 91902839
2-[3-[2-(1,3-dioxolan-2-yl)ethoxy]phenyl]-1H-benzimidazole
CID 168554940
6-bromo-2-(3-ethoxyphenyl)-1H-imidazo[4,5-b]pyridine
CID 23026040
2-(3-butoxyphenyl)-6-methoxy-1H-benzimidazole
CID 110538781
5-[[3-(1H-benzimidazol-2-yl)phenoxy]methyl]furan-2-carboxylic acid
CID 168554863
2-(4-ethoxy-3-prop-2-enylphenyl)-1H-benzimidazole
CID 168554555
2-(3-bromophenyl)-1H-benzimidazole;ethane
CID 143816010
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-(3-ethylphenoxy)acetamide
CID 2301170
5,6-dichloro-2-(3-propoxyphenyl)-1H-benzimidazole
CID 82005589
N-[3-(1H-benzimidazol-2-yl)phenyl]-3-butoxybenzamide
CID 15997481
2-(3-methylsulfanylphenyl)-1H-benzimidazole
CID 168553583

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyphenyl)-1H-benzimidazole?
The IUPAC name of 2-(3-ethoxyphenyl)-1H-benzimidazole (CID 19224120) is 2-(3-ethoxyphenyl)-1H-benzimidazole.
What is the SMILES notation for 2-(3-ethoxyphenyl)-1H-benzimidazole?
The canonical SMILES for 2-(3-ethoxyphenyl)-1H-benzimidazole is CCOc1cccc(-c2nc3ccccc3[nH]2)c1.
What is the InChIKey of 2-(3-ethoxyphenyl)-1H-benzimidazole?
The InChIKey is VUYYQKQCCPTNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-2-18-12-7-5-6-11(10-12)15-16-13-8-3-4-9-14(13)17-15/h3-10H,2H2,1H3,(H,16,17).
What are the key properties of 2-(3-ethoxyphenyl)-1H-benzimidazole?
2-(3-ethoxyphenyl)-1H-benzimidazole has a molecular weight of 238.29 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyphenyl)-1H-benzimidazole is sourced from PubChem (CID 19224120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).