1-(1H-benzimidazol-2-ylmethyl)benzotriazole

C14H11N5 — CID 3822419

IUPAC1-(1H-benzimidazol-2-ylmethyl)benzotriazole
SMILESc1ccc2[nH]c(Cn3nnc4ccccc43)nc2c1
InChIInChI=1S/C14H11N5/c1-2-6-11-10(5-1)15-14(16-11)9-19-13-8-4-3-7-12(13)17-18-19/h1-8H,9H2,(H,15,16)
InChIKeyCITBCYZJEBVHPS-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.36
Rot. Bonds2

About 1-(1H-benzimidazol-2-ylmethyl)benzotriazole

1-(1H-benzimidazol-2-ylmethyl)benzotriazole (PubChem CID 3822419) has the molecular formula C14H11N5 and a molecular weight of 249.28 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-ylmethyl)benzotriazole.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-ylmethyl)benzotriazole
PubChem CID3822419
Molecular FormulaC14H11N5
Molecular Weight249.28 g/mol
Exact Mass249.10
IUPAC Name1-(1H-benzimidazol-2-ylmethyl)benzotriazole
SMILESc1ccc2[nH]c(Cn3nnc4ccccc43)nc2c1
InChIInChI=1S/C14H11N5/c1-2-6-11-10(5-1)15-14(16-11)9-19-13-8-4-3-7-12(13)17-18-19/h1-8H,9H2,(H,15,16)
InChIKeyCITBCYZJEBVHPS-UHFFFAOYSA-N
XLogP2.36
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-ylmethyl)benzotriazole?
The IUPAC name of 1-(1H-benzimidazol-2-ylmethyl)benzotriazole (CID 3822419) is 1-(1H-benzimidazol-2-ylmethyl)benzotriazole.
What is the SMILES notation for 1-(1H-benzimidazol-2-ylmethyl)benzotriazole?
The canonical SMILES for 1-(1H-benzimidazol-2-ylmethyl)benzotriazole is c1ccc2[nH]c(Cn3nnc4ccccc43)nc2c1.
What is the InChIKey of 1-(1H-benzimidazol-2-ylmethyl)benzotriazole?
The InChIKey is CITBCYZJEBVHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5/c1-2-6-11-10(5-1)15-14(16-11)9-19-13-8-4-3-7-12(13)17-18-19/h1-8H,9H2,(H,15,16).
What are the key properties of 1-(1H-benzimidazol-2-ylmethyl)benzotriazole?
1-(1H-benzimidazol-2-ylmethyl)benzotriazole has a molecular weight of 249.28 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-ylmethyl)benzotriazole is sourced from PubChem (CID 3822419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).