1-[[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]methyl]benzotriazole

C20H22N6 — CID 5271996

IUPAC1-[[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]methyl]benzotriazole
SMILESc1ccc2c(c1)nnn2Cc1nc2ccccc2n1CCN1CCCC1
InChIInChI=1S/C20H22N6/c1-3-9-18-16(7-1)21-20(25(18)14-13-24-11-5-6-12-24)15-26-19-10-4-2-8-17(19)22-23-26/h1-4,7-10H,5-6,11-15H2
InChIKeyZKOYRTOQZOKLAN-UHFFFAOYSA-N
MW346.44 g/mol
LogP2.93
Rot. Bonds5

About 1-[[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]methyl]benzotriazole

1-[[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]methyl]benzotriazole (PubChem CID 5271996) has the molecular formula C20H22N6 and a molecular weight of 346.44 g/mol. Its IUPAC name is 1-[[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]methyl]benzotriazole.

Molecular Properties

Compound Name1-[[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]methyl]benzotriazole
PubChem CID5271996
Molecular FormulaC20H22N6
Molecular Weight346.44 g/mol
Exact Mass346.19
IUPAC Name1-[[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]methyl]benzotriazole
SMILESc1ccc2c(c1)nnn2Cc1nc2ccccc2n1CCN1CCCC1
InChIInChI=1S/C20H22N6/c1-3-9-18-16(7-1)21-20(25(18)14-13-24-11-5-6-12-24)15-26-19-10-4-2-8-17(19)22-23-26/h1-4,7-10H,5-6,11-15H2
InChIKeyZKOYRTOQZOKLAN-UHFFFAOYSA-N
XLogP2.93
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]methyl]benzotriazole?
The IUPAC name of 1-[[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]methyl]benzotriazole (CID 5271996) is 1-[[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]methyl]benzotriazole.
What is the SMILES notation for 1-[[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]methyl]benzotriazole?
The canonical SMILES for 1-[[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]methyl]benzotriazole is c1ccc2c(c1)nnn2Cc1nc2ccccc2n1CCN1CCCC1.
What is the InChIKey of 1-[[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]methyl]benzotriazole?
The InChIKey is ZKOYRTOQZOKLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6/c1-3-9-18-16(7-1)21-20(25(18)14-13-24-11-5-6-12-24)15-26-19-10-4-2-8-17(19)22-23-26/h1-4,7-10H,5-6,11-15H2.
What are the key properties of 1-[[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]methyl]benzotriazole?
1-[[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]methyl]benzotriazole has a molecular weight of 346.44 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]methyl]benzotriazole is sourced from PubChem (CID 5271996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).