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

C17H18N6 — CID 5272001

IUPAC2-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]-N-methylethanamine
SMILESCNCCn1c(Cn2nnc3ccccc32)nc2ccccc21
InChIInChI=1S/C17H18N6/c1-18-10-11-22-15-8-4-2-6-13(15)19-17(22)12-23-16-9-5-3-7-14(16)20-21-23/h2-9,18H,10-12H2,1H3
InChIKeyLHARMOWHHZKHMK-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.05
Rot. Bonds5

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

2-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]-N-methylethanamine (PubChem CID 5272001) has the molecular formula C17H18N6 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]-N-methylethanamine
PubChem CID5272001
Molecular FormulaC17H18N6
Molecular Weight306.37 g/mol
Exact Mass306.16
IUPAC Name2-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]-N-methylethanamine
SMILESCNCCn1c(Cn2nnc3ccccc32)nc2ccccc21
InChIInChI=1S/C17H18N6/c1-18-10-11-22-15-8-4-2-6-13(15)19-17(22)12-23-16-9-5-3-7-14(16)20-21-23/h2-9,18H,10-12H2,1H3
InChIKeyLHARMOWHHZKHMK-UHFFFAOYSA-N
XLogP2.05
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.05
H-Bond Donors ≤ 51
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-methylethanamine?
The IUPAC name of 2-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]-N-methylethanamine (CID 5272001) is 2-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]-N-methylethanamine.
What is the SMILES notation for 2-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]-N-methylethanamine?
The canonical SMILES for 2-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]-N-methylethanamine is CNCCn1c(Cn2nnc3ccccc32)nc2ccccc21.
What is the InChIKey of 2-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]-N-methylethanamine?
The InChIKey is LHARMOWHHZKHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6/c1-18-10-11-22-15-8-4-2-6-13(15)19-17(22)12-23-16-9-5-3-7-14(16)20-21-23/h2-9,18H,10-12H2,1H3.
What are the key properties of 2-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]-N-methylethanamine?
2-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]-N-methylethanamine has a molecular weight of 306.37 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 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-methylethanamine is sourced from PubChem (CID 5272001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).