N,N-bis(benzotriazol-1-ylmethyl)-1-phenylmethanamine

C21H19N7 — CID 2832069

IUPACN,N-bis(benzotriazol-1-ylmethyl)-1-phenylmethanamine
SMILESc1ccc(CN(Cn2nnc3ccccc32)Cn2nnc3ccccc32)cc1
InChIInChI=1S/C21H19N7/c1-2-8-17(9-3-1)14-26(15-27-20-12-6-4-10-18(20)22-24-27)16-28-21-13-7-5-11-19(21)23-25-28/h1-13H,14-16H2
InChIKeyXPBWXWAEYFYRHT-UHFFFAOYSA-N
MW369.43 g/mol
LogP3.29
Rot. Bonds6

About N,N-bis(benzotriazol-1-ylmethyl)-1-phenylmethanamine

N,N-bis(benzotriazol-1-ylmethyl)-1-phenylmethanamine (PubChem CID 2832069) has the molecular formula C21H19N7 and a molecular weight of 369.43 g/mol. Its IUPAC name is N,N-bis(benzotriazol-1-ylmethyl)-1-phenylmethanamine.

Molecular Properties

Compound NameN,N-bis(benzotriazol-1-ylmethyl)-1-phenylmethanamine
PubChem CID2832069
Molecular FormulaC21H19N7
Molecular Weight369.43 g/mol
Exact Mass369.17
IUPAC NameN,N-bis(benzotriazol-1-ylmethyl)-1-phenylmethanamine
SMILESc1ccc(CN(Cn2nnc3ccccc32)Cn2nnc3ccccc32)cc1
InChIInChI=1S/C21H19N7/c1-2-8-17(9-3-1)14-26(15-27-20-12-6-4-10-18(20)22-24-27)16-28-21-13-7-5-11-19(21)23-25-28/h1-13H,14-16H2
InChIKeyXPBWXWAEYFYRHT-UHFFFAOYSA-N
XLogP3.29
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(benzotriazol-1-ylmethyl)-1-phenylmethanamine?
The IUPAC name of N,N-bis(benzotriazol-1-ylmethyl)-1-phenylmethanamine (CID 2832069) is N,N-bis(benzotriazol-1-ylmethyl)-1-phenylmethanamine.
What is the SMILES notation for N,N-bis(benzotriazol-1-ylmethyl)-1-phenylmethanamine?
The canonical SMILES for N,N-bis(benzotriazol-1-ylmethyl)-1-phenylmethanamine is c1ccc(CN(Cn2nnc3ccccc32)Cn2nnc3ccccc32)cc1.
What is the InChIKey of N,N-bis(benzotriazol-1-ylmethyl)-1-phenylmethanamine?
The InChIKey is XPBWXWAEYFYRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7/c1-2-8-17(9-3-1)14-26(15-27-20-12-6-4-10-18(20)22-24-27)16-28-21-13-7-5-11-19(21)23-25-28/h1-13H,14-16H2.
What are the key properties of N,N-bis(benzotriazol-1-ylmethyl)-1-phenylmethanamine?
N,N-bis(benzotriazol-1-ylmethyl)-1-phenylmethanamine has a molecular weight of 369.43 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(benzotriazol-1-ylmethyl)-1-phenylmethanamine is sourced from PubChem (CID 2832069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).