1-[[1-(4-methylpentyl)benzimidazol-2-yl]methyl]benzotriazole

C20H23N5 — CID 5272009

IUPAC1-[[1-(4-methylpentyl)benzimidazol-2-yl]methyl]benzotriazole
SMILESCC(C)CCCn1c(Cn2nnc3ccccc32)nc2ccccc21
InChIInChI=1S/C20H23N5/c1-15(2)8-7-13-24-18-11-5-3-9-16(18)21-20(24)14-25-19-12-6-4-10-17(19)22-23-25/h3-6,9-12,15H,7-8,13-14H2,1-2H3
InChIKeyDBCZOOWKNJCIAI-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.27
Rot. Bonds6

About 1-[[1-(4-methylpentyl)benzimidazol-2-yl]methyl]benzotriazole

1-[[1-(4-methylpentyl)benzimidazol-2-yl]methyl]benzotriazole (PubChem CID 5272009) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is 1-[[1-(4-methylpentyl)benzimidazol-2-yl]methyl]benzotriazole.

Molecular Properties

Compound Name1-[[1-(4-methylpentyl)benzimidazol-2-yl]methyl]benzotriazole
PubChem CID5272009
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC Name1-[[1-(4-methylpentyl)benzimidazol-2-yl]methyl]benzotriazole
SMILESCC(C)CCCn1c(Cn2nnc3ccccc32)nc2ccccc21
InChIInChI=1S/C20H23N5/c1-15(2)8-7-13-24-18-11-5-3-9-16(18)21-20(24)14-25-19-12-6-4-10-17(19)22-23-25/h3-6,9-12,15H,7-8,13-14H2,1-2H3
InChIKeyDBCZOOWKNJCIAI-UHFFFAOYSA-N
XLogP4.27
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-methylpentyl)benzimidazol-2-yl]methyl]benzotriazole?
The IUPAC name of 1-[[1-(4-methylpentyl)benzimidazol-2-yl]methyl]benzotriazole (CID 5272009) is 1-[[1-(4-methylpentyl)benzimidazol-2-yl]methyl]benzotriazole.
What is the SMILES notation for 1-[[1-(4-methylpentyl)benzimidazol-2-yl]methyl]benzotriazole?
The canonical SMILES for 1-[[1-(4-methylpentyl)benzimidazol-2-yl]methyl]benzotriazole is CC(C)CCCn1c(Cn2nnc3ccccc32)nc2ccccc21.
What is the InChIKey of 1-[[1-(4-methylpentyl)benzimidazol-2-yl]methyl]benzotriazole?
The InChIKey is DBCZOOWKNJCIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5/c1-15(2)8-7-13-24-18-11-5-3-9-16(18)21-20(24)14-25-19-12-6-4-10-17(19)22-23-25/h3-6,9-12,15H,7-8,13-14H2,1-2H3.
What are the key properties of 1-[[1-(4-methylpentyl)benzimidazol-2-yl]methyl]benzotriazole?
1-[[1-(4-methylpentyl)benzimidazol-2-yl]methyl]benzotriazole has a molecular weight of 333.44 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-methylpentyl)benzimidazol-2-yl]methyl]benzotriazole is sourced from PubChem (CID 5272009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).