1-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]benzimidazole

C14H10N6 — CID 175588349

IUPAC1-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]benzimidazole
SMILESc1ccc2c(c1)ncn2-c1ccc(-c2ncn[nH]2)nc1
InChIInChI=1S/C14H10N6/c1-2-4-13-11(3-1)17-9-20(13)10-5-6-12(15-7-10)14-16-8-18-19-14/h1-9H,(H,16,18,19)
InChIKeyYQKBQVWHKMORRX-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.21
Rot. Bonds2

About 1-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]benzimidazole

1-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]benzimidazole (PubChem CID 175588349) has the molecular formula C14H10N6 and a molecular weight of 262.28 g/mol. Its IUPAC name is 1-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]benzimidazole.

Molecular Properties

Compound Name1-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]benzimidazole
PubChem CID175588349
Molecular FormulaC14H10N6
Molecular Weight262.28 g/mol
Exact Mass262.10
IUPAC Name1-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]benzimidazole
SMILESc1ccc2c(c1)ncn2-c1ccc(-c2ncn[nH]2)nc1
InChIInChI=1S/C14H10N6/c1-2-4-13-11(3-1)17-9-20(13)10-5-6-12(15-7-10)14-16-8-18-19-14/h1-9H,(H,16,18,19)
InChIKeyYQKBQVWHKMORRX-UHFFFAOYSA-N
XLogP2.21
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4,4-difluoropiperidin-1-yl)-[1-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]benzimidazol-5-yl]methanone
CID 167448558
1-[5-(benzimidazol-1-yl)-2-pyridinyl]propan-1-ol
CID 112585509
(1R)-1-[5-(benzimidazol-1-yl)-2-pyridinyl]propan-1-amine
CID 103937579
1-[4-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]benzimidazole
CID 134191315
4-(benzimidazol-1-yl)benzaldehyde
CID 737733
(1S)-1-[4-(benzimidazol-1-yl)phenyl]ethanamine
CID 25324450
1-(4-chloro-1H-pyrazol-5-yl)benzimidazole
CID 163906532
1-(3H-benzimidazol-5-yl)benzimidazole
CID 67657705
(1R)-1-[4-(benzimidazol-1-yl)phenyl]-N-methylethanamine
CID 25323496
1-[4-(benzimidazol-1-yl)phenyl]propan-2-amine
CID 55237590
1-(4-ethoxyphenyl)benzimidazole
CID 175001446
(2S)-2-amino-2-[4-(benzimidazol-1-yl)phenyl]acetic acid
CID 66513444

Frequently Asked Questions

What is the IUPAC name of 1-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]benzimidazole?
The IUPAC name of 1-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]benzimidazole (CID 175588349) is 1-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]benzimidazole.
What is the SMILES notation for 1-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]benzimidazole?
The canonical SMILES for 1-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]benzimidazole is c1ccc2c(c1)ncn2-c1ccc(-c2ncn[nH]2)nc1.
What is the InChIKey of 1-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]benzimidazole?
The InChIKey is YQKBQVWHKMORRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N6/c1-2-4-13-11(3-1)17-9-20(13)10-5-6-12(15-7-10)14-16-8-18-19-14/h1-9H,(H,16,18,19).
What are the key properties of 1-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]benzimidazole?
1-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]benzimidazole has a molecular weight of 262.28 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]benzimidazole is sourced from PubChem (CID 175588349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).