1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxy-3-methyl-2-pyridinyl)ethanone

C17H17N3O3 — CID 166824574

IUPAC1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxy-3-methyl-2-pyridinyl)ethanone
SMILESCOc1ccc2nc(C(=O)Cc3nccc(OC)c3C)[nH]c2c1
InChIInChI=1S/C17H17N3O3/c1-10-13(18-7-6-16(10)23-3)9-15(21)17-19-12-5-4-11(22-2)8-14(12)20-17/h4-8H,9H2,1-3H3,(H,19,20)
InChIKeyKKSNNQCJKICYLT-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.71
Rot. Bonds5

About 1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxy-3-methyl-2-pyridinyl)ethanone

1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxy-3-methyl-2-pyridinyl)ethanone (PubChem CID 166824574) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxy-3-methyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxy-3-methyl-2-pyridinyl)ethanone
PubChem CID166824574
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxy-3-methyl-2-pyridinyl)ethanone
SMILESCOc1ccc2nc(C(=O)Cc3nccc(OC)c3C)[nH]c2c1
InChIInChI=1S/C17H17N3O3/c1-10-13(18-7-6-16(10)23-3)9-15(21)17-19-12-5-4-11(22-2)8-14(12)20-17/h4-8H,9H2,1-3H3,(H,19,20)
InChIKeyKKSNNQCJKICYLT-UHFFFAOYSA-N
XLogP2.71
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxy-3-methyl-2-pyridinyl)ethanone with MolForge

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Related Compounds

1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxy-3-methyl-2-pyridinyl)ethanol
CID 163442412
2-(4-ethoxy-3-methyl-2-pyridinyl)-1-(6-pyrrol-1-yl-1H-benzimidazol-2-yl)ethanone
CID 163499267
1-(1-chloro-5-methoxybenzimidazol-2-yl)-2-(4-methoxy-3-methyl-2-pyridinyl)ethanone
CID 162345103
2-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-1-(6-pyrrol-1-yl-1H-benzimidazol-2-yl)ethanone
CID 166824568
1-[2-[[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-3-methyl-4-pyridinyl]oxy]ethyl]pyrrole-2,5-diol
CID 54356492
(E)-1-(6-methoxy-1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 51059619
N-butyl-6-methoxy-1H-benzimidazole-2-carboxamide
CID 69198696
2-[2-(4-methoxy-3-methyl-2-pyridinyl)ethylsulfanyl]-3H-benzimidazol-5-amine
CID 143294190
S-[(4-methoxy-3-methyl-2-pyridinyl)methyl] ethanethioate
CID 22151433
2-(chloromethyl)-6-methoxy-1H-benzimidazole;methane;(6-methoxy-1H-benzimidazol-2-yl)methanol
CID 161003256
1-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propan-2-one;hydrochloride
CID 44889304
1-[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]-2-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]propan-2-ol
CID 166824623

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxy-3-methyl-2-pyridinyl)ethanone?
The IUPAC name of 1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxy-3-methyl-2-pyridinyl)ethanone (CID 166824574) is 1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxy-3-methyl-2-pyridinyl)ethanone.
What is the SMILES notation for 1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxy-3-methyl-2-pyridinyl)ethanone?
The canonical SMILES for 1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxy-3-methyl-2-pyridinyl)ethanone is COc1ccc2nc(C(=O)Cc3nccc(OC)c3C)[nH]c2c1.
What is the InChIKey of 1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxy-3-methyl-2-pyridinyl)ethanone?
The InChIKey is KKSNNQCJKICYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-10-13(18-7-6-16(10)23-3)9-15(21)17-19-12-5-4-11(22-2)8-14(12)20-17/h4-8H,9H2,1-3H3,(H,19,20).
What are the key properties of 1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxy-3-methyl-2-pyridinyl)ethanone?
1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxy-3-methyl-2-pyridinyl)ethanone has a molecular weight of 311.34 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxy-3-methyl-2-pyridinyl)ethanone is sourced from PubChem (CID 166824574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).