N-[2-[2-(benzotriazol-2-ylmethyl)benzimidazol-1-yl]ethyl]-N-propan-2-ylpropan-2-amine

C22H28N6 — CID 5272030

IUPACN-[2-[2-(benzotriazol-2-ylmethyl)benzimidazol-1-yl]ethyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CCn1c(Cn2nc3ccccc3n2)nc2ccccc21)C(C)C
InChIInChI=1S/C22H28N6/c1-16(2)26(17(3)4)13-14-27-21-12-8-7-11-20(21)23-22(27)15-28-24-18-9-5-6-10-19(18)25-28/h5-12,16-17H,13-15H2,1-4H3
InChIKeyQBZUZAMOZKJAOW-UHFFFAOYSA-N
MW376.51 g/mol
LogP3.95
Rot. Bonds7

About N-[2-[2-(benzotriazol-2-ylmethyl)benzimidazol-1-yl]ethyl]-N-propan-2-ylpropan-2-amine

N-[2-[2-(benzotriazol-2-ylmethyl)benzimidazol-1-yl]ethyl]-N-propan-2-ylpropan-2-amine (PubChem CID 5272030) has the molecular formula C22H28N6 and a molecular weight of 376.51 g/mol. Its IUPAC name is N-[2-[2-(benzotriazol-2-ylmethyl)benzimidazol-1-yl]ethyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[2-(benzotriazol-2-ylmethyl)benzimidazol-1-yl]ethyl]-N-propan-2-ylpropan-2-amine
PubChem CID5272030
Molecular FormulaC22H28N6
Molecular Weight376.51 g/mol
Exact Mass376.24
IUPAC NameN-[2-[2-(benzotriazol-2-ylmethyl)benzimidazol-1-yl]ethyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CCn1c(Cn2nc3ccccc3n2)nc2ccccc21)C(C)C
InChIInChI=1S/C22H28N6/c1-16(2)26(17(3)4)13-14-27-21-12-8-7-11-20(21)23-22(27)15-28-24-18-9-5-6-10-19(18)25-28/h5-12,16-17H,13-15H2,1-4H3
InChIKeyQBZUZAMOZKJAOW-UHFFFAOYSA-N
XLogP3.95
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(benzotriazol-2-ylmethyl)benzimidazol-1-yl]ethyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[2-[2-(benzotriazol-2-ylmethyl)benzimidazol-1-yl]ethyl]-N-propan-2-ylpropan-2-amine (CID 5272030) is N-[2-[2-(benzotriazol-2-ylmethyl)benzimidazol-1-yl]ethyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[2-[2-(benzotriazol-2-ylmethyl)benzimidazol-1-yl]ethyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[2-[2-(benzotriazol-2-ylmethyl)benzimidazol-1-yl]ethyl]-N-propan-2-ylpropan-2-amine is CC(C)N(CCn1c(Cn2nc3ccccc3n2)nc2ccccc21)C(C)C.
What is the InChIKey of N-[2-[2-(benzotriazol-2-ylmethyl)benzimidazol-1-yl]ethyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is QBZUZAMOZKJAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6/c1-16(2)26(17(3)4)13-14-27-21-12-8-7-11-20(21)23-22(27)15-28-24-18-9-5-6-10-19(18)25-28/h5-12,16-17H,13-15H2,1-4H3.
What are the key properties of N-[2-[2-(benzotriazol-2-ylmethyl)benzimidazol-1-yl]ethyl]-N-propan-2-ylpropan-2-amine?
N-[2-[2-(benzotriazol-2-ylmethyl)benzimidazol-1-yl]ethyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 376.51 g/mol, XLogP of 3.95, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(benzotriazol-2-ylmethyl)benzimidazol-1-yl]ethyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 5272030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).