2-(ethoxymethyl)-1H-benzimidazole-4-carbonitrile

C11H11N3O — CID 104720448

IUPAC2-(ethoxymethyl)-1H-benzimidazole-4-carbonitrile
SMILESCCOCc1nc2c(C#N)cccc2[nH]1
InChIInChI=1S/C11H11N3O/c1-2-15-7-10-13-9-5-3-4-8(6-12)11(9)14-10/h3-5H,2,7H2,1H3,(H,13,14)
InChIKeyFMMGEQDNOMZSQZ-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.97
Rot. Bonds3

About 2-(ethoxymethyl)-1H-benzimidazole-4-carbonitrile

2-(ethoxymethyl)-1H-benzimidazole-4-carbonitrile (PubChem CID 104720448) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 2-(ethoxymethyl)-1H-benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-(ethoxymethyl)-1H-benzimidazole-4-carbonitrile
PubChem CID104720448
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name2-(ethoxymethyl)-1H-benzimidazole-4-carbonitrile
SMILESCCOCc1nc2c(C#N)cccc2[nH]1
InChIInChI=1S/C11H11N3O/c1-2-15-7-10-13-9-5-3-4-8(6-12)11(9)14-10/h3-5H,2,7H2,1H3,(H,13,14)
InChIKeyFMMGEQDNOMZSQZ-UHFFFAOYSA-N
XLogP1.97
TPSA61.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethoxymethyl)-1H-benzimidazol-4-amine
CID 63691528
2-(3-methoxybutyl)-1H-benzimidazole-4-carbonitrile
CID 104720707
2-[(3-bromophenyl)methyl]-1H-benzimidazole-4-carbonitrile
CID 104720693
2-[(2-fluorophenyl)methyl]-1H-benzimidazole-4-carbonitrile
CID 104720469
2-[(2,3-difluorophenyl)methyl]-1H-benzimidazole-4-carbonitrile
CID 104720614
2-(6-methyl-2-pyridinyl)-1H-benzimidazole-4-carbonitrile
CID 104720600
2-phenyl-1H-benzimidazole-4-carbonitrile
CID 83412719
2-heptan-3-yl-1H-benzimidazole-4-carbonitrile
CID 113445156
2-[3-(dimethylamino)phenyl]-1H-benzimidazole-4-carbonitrile
CID 104720365
2-(2-phenylpropan-2-yl)-1H-benzimidazole-4-carbonitrile
CID 104720510
2-naphthalen-1-yl-1H-benzimidazole-4-carbonitrile
CID 104720555
2-(3-propan-2-yloxyphenyl)-1H-benzimidazole-4-carbonitrile
CID 104720433

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-1H-benzimidazole-4-carbonitrile?
The IUPAC name of 2-(ethoxymethyl)-1H-benzimidazole-4-carbonitrile (CID 104720448) is 2-(ethoxymethyl)-1H-benzimidazole-4-carbonitrile.
What is the SMILES notation for 2-(ethoxymethyl)-1H-benzimidazole-4-carbonitrile?
The canonical SMILES for 2-(ethoxymethyl)-1H-benzimidazole-4-carbonitrile is CCOCc1nc2c(C#N)cccc2[nH]1.
What is the InChIKey of 2-(ethoxymethyl)-1H-benzimidazole-4-carbonitrile?
The InChIKey is FMMGEQDNOMZSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-2-15-7-10-13-9-5-3-4-8(6-12)11(9)14-10/h3-5H,2,7H2,1H3,(H,13,14).
What are the key properties of 2-(ethoxymethyl)-1H-benzimidazole-4-carbonitrile?
2-(ethoxymethyl)-1H-benzimidazole-4-carbonitrile has a molecular weight of 201.23 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-1H-benzimidazole-4-carbonitrile is sourced from PubChem (CID 104720448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).