ethane;2-methyl-6-(pyridin-4-ylmethoxy)-1H-benzimidazole

C16H19N3O — CID 143653582

IUPACethane;2-methyl-6-(pyridin-4-ylmethoxy)-1H-benzimidazole
SMILESCC.Cc1nc2ccc(OCc3ccncc3)cc2[nH]1
InChIInChI=1S/C14H13N3O.C2H6/c1-10-16-13-3-2-12(8-14(13)17-10)18-9-11-4-6-15-7-5-11;1-2/h2-8H,9H2,1H3,(H,16,17);1-2H3
InChIKeyDOVRXWQSACKIMC-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.87
Rot. Bonds3

About ethane;2-methyl-6-(pyridin-4-ylmethoxy)-1H-benzimidazole

ethane;2-methyl-6-(pyridin-4-ylmethoxy)-1H-benzimidazole (PubChem CID 143653582) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is ethane;2-methyl-6-(pyridin-4-ylmethoxy)-1H-benzimidazole.

Molecular Properties

Compound Nameethane;2-methyl-6-(pyridin-4-ylmethoxy)-1H-benzimidazole
PubChem CID143653582
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Nameethane;2-methyl-6-(pyridin-4-ylmethoxy)-1H-benzimidazole
SMILESCC.Cc1nc2ccc(OCc3ccncc3)cc2[nH]1
InChIInChI=1S/C14H13N3O.C2H6/c1-10-16-13-3-2-12(8-14(13)17-10)18-9-11-4-6-15-7-5-11;1-2/h2-8H,9H2,1H3,(H,16,17);1-2H3
InChIKeyDOVRXWQSACKIMC-UHFFFAOYSA-N
XLogP3.87
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-methyl-3H-benzimidazol-5-yl)oxy]butanoic acid
CID 84816240
6-ethoxy-2-pyridin-4-yl-1H-benzimidazole
CID 12855474
4-[(3-fluoro-4-methylphenoxy)methyl]pyridine
CID 23377294
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
2-methyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 110692469
2-methyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-sulfonamide
CID 110760126
6-(2-bromoethyl)-2-methyl-1H-benzimidazole;ethane
CID 90818369
6-(azetidin-3-yloxy)-2-methyl-1H-benzimidazole
CID 84671564
benzyl 2,2-difluoro-2-[(2-methyl-3H-benzimidazol-5-yl)oxy]acetate
CID 170102023
4-[(4-methoxyphenyl)methoxy]pyridine
CID 54365889
ethane;6-fluoro-2-methyl-1H-benzimidazole
CID 142961640
4-[[4-[(4-methylphenyl)methoxy]phenyl]methoxymethyl]pyridine
CID 23399976

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-6-(pyridin-4-ylmethoxy)-1H-benzimidazole?
The IUPAC name of ethane;2-methyl-6-(pyridin-4-ylmethoxy)-1H-benzimidazole (CID 143653582) is ethane;2-methyl-6-(pyridin-4-ylmethoxy)-1H-benzimidazole.
What is the SMILES notation for ethane;2-methyl-6-(pyridin-4-ylmethoxy)-1H-benzimidazole?
The canonical SMILES for ethane;2-methyl-6-(pyridin-4-ylmethoxy)-1H-benzimidazole is CC.Cc1nc2ccc(OCc3ccncc3)cc2[nH]1.
What is the InChIKey of ethane;2-methyl-6-(pyridin-4-ylmethoxy)-1H-benzimidazole?
The InChIKey is DOVRXWQSACKIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O.C2H6/c1-10-16-13-3-2-12(8-14(13)17-10)18-9-11-4-6-15-7-5-11;1-2/h2-8H,9H2,1H3,(H,16,17);1-2H3.
What are the key properties of ethane;2-methyl-6-(pyridin-4-ylmethoxy)-1H-benzimidazole?
ethane;2-methyl-6-(pyridin-4-ylmethoxy)-1H-benzimidazole has a molecular weight of 269.35 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-6-(pyridin-4-ylmethoxy)-1H-benzimidazole is sourced from PubChem (CID 143653582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).