1-[[1-(4-methylphenyl)triazol-4-yl]methyl]-2-pyridin-2-ylbenzimidazole

C22H18N6 — CID 67473012

IUPAC1-[[1-(4-methylphenyl)triazol-4-yl]methyl]-2-pyridin-2-ylbenzimidazole
SMILESCc1ccc(-n2cc(Cn3c(-c4ccccn4)nc4ccccc43)nn2)cc1
InChIInChI=1S/C22H18N6/c1-16-9-11-18(12-10-16)28-15-17(25-26-28)14-27-21-8-3-2-6-19(21)24-22(27)20-7-4-5-13-23-20/h2-13,15H,14H2,1H3
InChIKeyLSBBNWHQSQYIDO-UHFFFAOYSA-N
MW366.43 g/mol
LogP4.04
Rot. Bonds4

About 1-[[1-(4-methylphenyl)triazol-4-yl]methyl]-2-pyridin-2-ylbenzimidazole

1-[[1-(4-methylphenyl)triazol-4-yl]methyl]-2-pyridin-2-ylbenzimidazole (PubChem CID 67473012) has the molecular formula C22H18N6 and a molecular weight of 366.43 g/mol. Its IUPAC name is 1-[[1-(4-methylphenyl)triazol-4-yl]methyl]-2-pyridin-2-ylbenzimidazole.

Molecular Properties

Compound Name1-[[1-(4-methylphenyl)triazol-4-yl]methyl]-2-pyridin-2-ylbenzimidazole
PubChem CID67473012
Molecular FormulaC22H18N6
Molecular Weight366.43 g/mol
Exact Mass366.16
IUPAC Name1-[[1-(4-methylphenyl)triazol-4-yl]methyl]-2-pyridin-2-ylbenzimidazole
SMILESCc1ccc(-n2cc(Cn3c(-c4ccccn4)nc4ccccc43)nn2)cc1
InChIInChI=1S/C22H18N6/c1-16-9-11-18(12-10-16)28-15-17(25-26-28)14-27-21-8-3-2-6-19(21)24-22(27)20-7-4-5-13-23-20/h2-13,15H,14H2,1H3
InChIKeyLSBBNWHQSQYIDO-UHFFFAOYSA-N
XLogP4.04
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-pyridin-2-ylbenzimidazol-1-yl)acetaldehyde
CID 89031622
1-[[1-[[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl]triazol-4-yl]methyl]-2-pyridin-2-ylbenzimidazole
CID 122380960
4-[[1-(4-methylphenyl)triazol-4-yl]methoxy]quinoline
CID 67473010
2-pyridin-2-yl-1-[2,4,6-trimethyl-3,5-bis(2-pyridin-2-ylbenzimidazol-1-yl)phenyl]benzimidazole
CID 89180674
2-[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]-1,3-benzothiazole
CID 134126891
cobalt(3+);1-[2-[6-[1-[(dimethylamino)methyl]benzimidazol-2-yl]-2-pyridinyl]benzimidazol-1-yl]-N,N-dimethylmethanamine;trichloride
CID 70012998
1-[2-[6-[1-[(dimethylamino)methyl]benzimidazol-2-yl]-2-pyridinyl]benzimidazol-1-yl]-N,N-dimethylmethanamine;neodymium(3+);trichloride
CID 173243474
1-[2-(4-chlorophenoxy)ethyl]-2-pyridin-2-ylbenzimidazole
CID 3984875
1,2-dipyridin-2-ylbenzimidazole
CID 122179936
CID 10763839
CID 10763839
cobalt(3+);1-(methoxymethyl)-2-[6-[1-(methoxymethyl)benzimidazol-2-yl]-2-pyridinyl]benzimidazole;trichloride
CID 70015423
6-[4-(bromomethyl)triazol-1-yl]quinoline
CID 62634784

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-methylphenyl)triazol-4-yl]methyl]-2-pyridin-2-ylbenzimidazole?
The IUPAC name of 1-[[1-(4-methylphenyl)triazol-4-yl]methyl]-2-pyridin-2-ylbenzimidazole (CID 67473012) is 1-[[1-(4-methylphenyl)triazol-4-yl]methyl]-2-pyridin-2-ylbenzimidazole.
What is the SMILES notation for 1-[[1-(4-methylphenyl)triazol-4-yl]methyl]-2-pyridin-2-ylbenzimidazole?
The canonical SMILES for 1-[[1-(4-methylphenyl)triazol-4-yl]methyl]-2-pyridin-2-ylbenzimidazole is Cc1ccc(-n2cc(Cn3c(-c4ccccn4)nc4ccccc43)nn2)cc1.
What is the InChIKey of 1-[[1-(4-methylphenyl)triazol-4-yl]methyl]-2-pyridin-2-ylbenzimidazole?
The InChIKey is LSBBNWHQSQYIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6/c1-16-9-11-18(12-10-16)28-15-17(25-26-28)14-27-21-8-3-2-6-19(21)24-22(27)20-7-4-5-13-23-20/h2-13,15H,14H2,1H3.
What are the key properties of 1-[[1-(4-methylphenyl)triazol-4-yl]methyl]-2-pyridin-2-ylbenzimidazole?
1-[[1-(4-methylphenyl)triazol-4-yl]methyl]-2-pyridin-2-ylbenzimidazole has a molecular weight of 366.43 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-methylphenyl)triazol-4-yl]methyl]-2-pyridin-2-ylbenzimidazole is sourced from PubChem (CID 67473012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).