2-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]-N,N-dimethylethanamine

C18H20N6 — CID 5271993

IUPAC2-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1c(Cn2nnc3ccccc32)nc2ccccc21
InChIInChI=1S/C18H20N6/c1-22(2)11-12-23-16-9-5-3-7-14(16)19-18(23)13-24-17-10-6-4-8-15(17)20-21-24/h3-10H,11-13H2,1-2H3
InChIKeyWJMMGKVAOZZIMM-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.39
Rot. Bonds5

About 2-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]-N,N-dimethylethanamine

2-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]-N,N-dimethylethanamine (PubChem CID 5271993) has the molecular formula C18H20N6 and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]-N,N-dimethylethanamine
PubChem CID5271993
Molecular FormulaC18H20N6
Molecular Weight320.40 g/mol
Exact Mass320.17
IUPAC Name2-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1c(Cn2nnc3ccccc32)nc2ccccc21
InChIInChI=1S/C18H20N6/c1-22(2)11-12-23-16-9-5-3-7-14(16)19-18(23)13-24-17-10-6-4-8-15(17)20-21-24/h3-10H,11-13H2,1-2H3
InChIKeyWJMMGKVAOZZIMM-UHFFFAOYSA-N
XLogP2.39
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]-N,N-dimethylethanamine (CID 5271993) is 2-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]-N,N-dimethylethanamine is CN(C)CCn1c(Cn2nnc3ccccc32)nc2ccccc21.
What is the InChIKey of 2-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is WJMMGKVAOZZIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6/c1-22(2)11-12-23-16-9-5-3-7-14(16)19-18(23)13-24-17-10-6-4-8-15(17)20-21-24/h3-10H,11-13H2,1-2H3.
What are the key properties of 2-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]-N,N-dimethylethanamine?
2-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 320.40 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 5271993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).