2-(3-methoxy-4-pyridinyl)-1H-benzimidazole

C13H11N3O — CID 105063747

IUPAC2-(3-methoxy-4-pyridinyl)-1H-benzimidazole
SMILESCOc1cnccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C13H11N3O/c1-17-12-8-14-7-6-9(12)13-15-10-4-2-3-5-11(10)16-13/h2-8H,1H3,(H,15,16)
InChIKeyMYHQOZJAANLEDL-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.63
Rot. Bonds2

About 2-(3-methoxy-4-pyridinyl)-1H-benzimidazole

2-(3-methoxy-4-pyridinyl)-1H-benzimidazole (PubChem CID 105063747) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-(3-methoxy-4-pyridinyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(3-methoxy-4-pyridinyl)-1H-benzimidazole
PubChem CID105063747
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name2-(3-methoxy-4-pyridinyl)-1H-benzimidazole
SMILESCOc1cnccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C13H11N3O/c1-17-12-8-14-7-6-9(12)13-15-10-4-2-3-5-11(10)16-13/h2-8H,1H3,(H,15,16)
InChIKeyMYHQOZJAANLEDL-UHFFFAOYSA-N
XLogP2.63
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-3-pyridinyl)-1H-benzimidazole
CID 67996480
2-[2-(3,4-dimethoxyphenyl)phenyl]-1H-benzimidazole
CID 168554009
2-(5-bromo-2-iodo-4-methoxyphenyl)-1H-benzimidazole
CID 168555811
2-(3,5-dimethoxynaphthalen-2-yl)-1H-benzimidazole
CID 168555188
2-(1H-benzimidazol-2-yl)-4-methoxyphenol
CID 135463022
4-(1H-benzimidazol-2-yl)-2-chloro-5-methoxyaniline
CID 43614498
4-(1H-benzimidazol-2-yl)-3-methoxypyridine-2-carbonitrile
CID 90027902
3-(1H-benzimidazol-2-yl)-4-methoxybenzoic acid
CID 168554913
2-(4,5-dimethoxy-2-nitrophenyl)-1H-benzimidazole
CID 671086
2-(2-methoxy-3-pyridinyl)-3H-imidazo[4,5-c]pyridine
CID 63268642
2-[2-[5-[2-(1H-benzimidazol-2-yl)phenoxy]pentoxy]phenyl]-1H-benzimidazole
CID 25255578
4-(1H-benzimidazol-2-yl)-3-methoxypyridine-2-carboxylic acid
CID 90027807

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-pyridinyl)-1H-benzimidazole?
The IUPAC name of 2-(3-methoxy-4-pyridinyl)-1H-benzimidazole (CID 105063747) is 2-(3-methoxy-4-pyridinyl)-1H-benzimidazole.
What is the SMILES notation for 2-(3-methoxy-4-pyridinyl)-1H-benzimidazole?
The canonical SMILES for 2-(3-methoxy-4-pyridinyl)-1H-benzimidazole is COc1cnccc1-c1nc2ccccc2[nH]1.
What is the InChIKey of 2-(3-methoxy-4-pyridinyl)-1H-benzimidazole?
The InChIKey is MYHQOZJAANLEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-17-12-8-14-7-6-9(12)13-15-10-4-2-3-5-11(10)16-13/h2-8H,1H3,(H,15,16).
What are the key properties of 2-(3-methoxy-4-pyridinyl)-1H-benzimidazole?
2-(3-methoxy-4-pyridinyl)-1H-benzimidazole has a molecular weight of 225.25 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-pyridinyl)-1H-benzimidazole is sourced from PubChem (CID 105063747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).