6-ethoxy-2-pyridin-4-yl-1H-benzimidazole

C14H13N3O — CID 12855474

IUPAC6-ethoxy-2-pyridin-4-yl-1H-benzimidazole
SMILESCCOc1ccc2nc(-c3ccncc3)[nH]c2c1
InChIInChI=1S/C14H13N3O/c1-2-18-11-3-4-12-13(9-11)17-14(16-12)10-5-7-15-8-6-10/h3-9H,2H2,1H3,(H,16,17)
InChIKeyYXDUOBMXDFSFRE-UHFFFAOYSA-N
MW239.28 g/mol
LogP3.02
Rot. Bonds3

About 6-ethoxy-2-pyridin-4-yl-1H-benzimidazole

6-ethoxy-2-pyridin-4-yl-1H-benzimidazole (PubChem CID 12855474) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 6-ethoxy-2-pyridin-4-yl-1H-benzimidazole.

Molecular Properties

Compound Name6-ethoxy-2-pyridin-4-yl-1H-benzimidazole
PubChem CID12855474
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name6-ethoxy-2-pyridin-4-yl-1H-benzimidazole
SMILESCCOc1ccc2nc(-c3ccncc3)[nH]c2c1
InChIInChI=1S/C14H13N3O/c1-2-18-11-3-4-12-13(9-11)17-14(16-12)10-5-7-15-8-6-10/h3-9H,2H2,1H3,(H,16,17)
InChIKeyYXDUOBMXDFSFRE-UHFFFAOYSA-N
XLogP3.02
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 82331892
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CID 84816371
2-(3-ethoxyphenyl)-1H-benzimidazole
CID 19224120
6-ethoxy-2-(pyrimidin-2-ylmethylsulfanyl)-1H-benzimidazole
CID 99794984
2-(1-chloroethyl)-6-ethoxy-1H-benzimidazole
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6-ethoxy-2-hydroxysulfanyl-1H-benzimidazole
CID 119085221
6-prop-2-ynoxy-2-pyridin-3-yl-1H-benzimidazole
CID 84816420
6-ethoxy-2-ethylsulfanyl-1H-benzimidazole;hydrochloride
CID 5344707
1-[4-[[2-[4-[6-[[4-[(dimethylamino)methyl]phenyl]methoxy]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]oxymethyl]phenyl]-N,N-dimethylmethanamine
CID 138649430
methyl 2-(3-ethoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 91902839
6-ethoxy-2-heptadecyl-1H-benzimidazole
CID 71336716

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-pyridin-4-yl-1H-benzimidazole?
The IUPAC name of 6-ethoxy-2-pyridin-4-yl-1H-benzimidazole (CID 12855474) is 6-ethoxy-2-pyridin-4-yl-1H-benzimidazole.
What is the SMILES notation for 6-ethoxy-2-pyridin-4-yl-1H-benzimidazole?
The canonical SMILES for 6-ethoxy-2-pyridin-4-yl-1H-benzimidazole is CCOc1ccc2nc(-c3ccncc3)[nH]c2c1.
What is the InChIKey of 6-ethoxy-2-pyridin-4-yl-1H-benzimidazole?
The InChIKey is YXDUOBMXDFSFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-2-18-11-3-4-12-13(9-11)17-14(16-12)10-5-7-15-8-6-10/h3-9H,2H2,1H3,(H,16,17).
What are the key properties of 6-ethoxy-2-pyridin-4-yl-1H-benzimidazole?
6-ethoxy-2-pyridin-4-yl-1H-benzimidazole has a molecular weight of 239.28 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-pyridin-4-yl-1H-benzimidazole is sourced from PubChem (CID 12855474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).