1-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]benzotriazole

C19H14N6 — CID 102444439

IUPAC1-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]benzotriazole
SMILESCn1c(-c2cccc(-n3nnc4ccccc43)n2)nc2ccccc21
InChIInChI=1S/C19H14N6/c1-24-16-10-4-2-7-13(16)21-19(24)15-9-6-12-18(20-15)25-17-11-5-3-8-14(17)22-23-25/h2-12H,1H3
InChIKeyFTIMVOWIUKUWGB-UHFFFAOYSA-N
MW326.36 g/mol
LogP3.37
Rot. Bonds2

About 1-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]benzotriazole

1-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]benzotriazole (PubChem CID 102444439) has the molecular formula C19H14N6 and a molecular weight of 326.36 g/mol. Its IUPAC name is 1-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]benzotriazole.

Molecular Properties

Compound Name1-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]benzotriazole
PubChem CID102444439
Molecular FormulaC19H14N6
Molecular Weight326.36 g/mol
Exact Mass326.13
IUPAC Name1-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]benzotriazole
SMILESCn1c(-c2cccc(-n3nnc4ccccc43)n2)nc2ccccc21
InChIInChI=1S/C19H14N6/c1-24-16-10-4-2-7-13(16)21-19(24)15-9-6-12-18(20-15)25-17-11-5-3-8-14(17)22-23-25/h2-12H,1H3
InChIKeyFTIMVOWIUKUWGB-UHFFFAOYSA-N
XLogP3.37
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-2-(6-methyl-2-pyridinyl)benzimidazole
CID 71344812
1-methyl-2-[6-(3-methyl-1H-indol-2-yl)-2-pyridinyl]benzimidazole
CID 123623566
4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-amine
CID 16789350
1-methyl-2-[6-(1-methylbenzimidazol-2-yl)-4-phenyl-2-pyridinyl]benzimidazole
CID 15804948
N-(2,6-dimethylphenyl)-1-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]ethanimine
CID 51050722
4-(benzotriazol-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine
CID 59718934
2-(benzotriazol-1-yl)quinoxaline
CID 11096911
2-(2,6-dibromophenyl)-1-methylbenzimidazole
CID 130205790
[6-(1-methylbenzimidazol-2-yl)pyridazin-3-yl]hydrazine
CID 62783874
1-methyl-2-(1-methylimidazol-2-yl)benzimidazole
CID 71348433
4-(1-methylbenzimidazol-2-yl)-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 71442196
1-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanone
CID 63379627

Frequently Asked Questions

What is the IUPAC name of 1-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]benzotriazole?
The IUPAC name of 1-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]benzotriazole (CID 102444439) is 1-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]benzotriazole.
What is the SMILES notation for 1-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]benzotriazole?
The canonical SMILES for 1-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]benzotriazole is Cn1c(-c2cccc(-n3nnc4ccccc43)n2)nc2ccccc21.
What is the InChIKey of 1-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]benzotriazole?
The InChIKey is FTIMVOWIUKUWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6/c1-24-16-10-4-2-7-13(16)21-19(24)15-9-6-12-18(20-15)25-17-11-5-3-8-14(17)22-23-25/h2-12H,1H3.
What are the key properties of 1-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]benzotriazole?
1-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]benzotriazole has a molecular weight of 326.36 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]benzotriazole is sourced from PubChem (CID 102444439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).