2-(1-methyl-4-pyridinylidene)benzimidazole

C13H11N3 — CID 12614921

IUPAC2-(1-methyl-4-pyridinylidene)benzimidazole
SMILESCN1C=CC(=C2N=c3ccccc3=N2)C=C1
InChIInChI=1S/C13H11N3/c1-16-8-6-10(7-9-16)13-14-11-4-2-3-5-12(11)15-13/h2-9H,1H3
InChIKeyQFLATZNEOVQJFV-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.12
Rot. Bonds

About 2-(1-methyl-4-pyridinylidene)benzimidazole

2-(1-methyl-4-pyridinylidene)benzimidazole (PubChem CID 12614921) has the molecular formula C13H11N3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-(1-methyl-4-pyridinylidene)benzimidazole.

Molecular Properties

Compound Name2-(1-methyl-4-pyridinylidene)benzimidazole
PubChem CID12614921
Molecular FormulaC13H11N3
Molecular Weight209.25 g/mol
Exact Mass209.10
IUPAC Name2-(1-methyl-4-pyridinylidene)benzimidazole
SMILESCN1C=CC(=C2N=c3ccccc3=N2)C=C1
InChIInChI=1S/C13H11N3/c1-16-8-6-10(7-9-16)13-14-11-4-2-3-5-12(11)15-13/h2-9H,1H3
InChIKeyQFLATZNEOVQJFV-UHFFFAOYSA-N
XLogP1.12
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(benzimidazol-2-ylidene)-1-pyridinyl]acetic acid
CID 126419139
(10Z,13Z)-12-methyl-2,3-dimethylidene-12-azatricyclo[13.4.0.04,9]nonadeca-1(19),4,6,8,10,13,15,17-octaene
CID 145387131
3-(4-indol-2-ylidene-1-pyridinyl)propyl-trimethylazanium
CID 138398560
3-[4-(1-methyl-4-pyridinylidene)-1-pyridinyl]-N-[4-(10,15,20-triphenylporphyrin-5-yl)phenyl]propanamide
CID 101025449
2,6-dimethyl-4-(1-methyl-4-pyridinylidene)cyclohexa-2,5-dien-1-one
CID 11550271
iridium;2-methylidenebenzimidazole
CID 173124515
1-methyl-4-propan-2-ylidenepyridine
CID 21033002
1-methyl-4-[3-(1-methylpyridin-1-ium-4-yl)cyclopenta-2,4-dien-1-ylidene]pyridine
CID 101143332
4,8-bis(1,3-dithiol-2-ylidene)-[1,2,5]thiadiazolo[3,4-f][2,1,3]benzothiadiazole;1-methyl-4-(1-methyl-4-pyridinylidene)pyridine
CID 157122457
2-(chloromethylidene)benzimidazole
CID 141233786
3-(1-methylpyridin-1-ium-4-yl)-5-(1-methyl-4-pyridinylidene)-2-phenylcyclopent-3-en-1-one iodide
CID 14274127
4-[4-(1-methyl-4-pyridinylidene)but-2-enylidene]-3-phenyl-1,2-oxazol-5-one
CID 76662158

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-4-pyridinylidene)benzimidazole?
The IUPAC name of 2-(1-methyl-4-pyridinylidene)benzimidazole (CID 12614921) is 2-(1-methyl-4-pyridinylidene)benzimidazole.
What is the SMILES notation for 2-(1-methyl-4-pyridinylidene)benzimidazole?
The canonical SMILES for 2-(1-methyl-4-pyridinylidene)benzimidazole is CN1C=CC(=C2N=c3ccccc3=N2)C=C1.
What is the InChIKey of 2-(1-methyl-4-pyridinylidene)benzimidazole?
The InChIKey is QFLATZNEOVQJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3/c1-16-8-6-10(7-9-16)13-14-11-4-2-3-5-12(11)15-13/h2-9H,1H3.
What are the key properties of 2-(1-methyl-4-pyridinylidene)benzimidazole?
2-(1-methyl-4-pyridinylidene)benzimidazole has a molecular weight of 209.25 g/mol, XLogP of 1.12, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-4-pyridinylidene)benzimidazole is sourced from PubChem (CID 12614921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).