1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]benzotriazole

C19H21N5 — CID 5272007

IUPAC1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]benzotriazole
SMILESCC(C)CCn1c(Cn2nnc3ccccc32)nc2ccccc21
InChIInChI=1S/C19H21N5/c1-14(2)11-12-23-17-9-5-3-7-15(17)20-19(23)13-24-18-10-6-4-8-16(18)21-22-24/h3-10,14H,11-13H2,1-2H3
InChIKeyOYIXHPCYUATQPN-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.88
Rot. Bonds5

About 1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]benzotriazole

1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]benzotriazole (PubChem CID 5272007) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]benzotriazole.

Molecular Properties

Compound Name1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]benzotriazole
PubChem CID5272007
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]benzotriazole
SMILESCC(C)CCn1c(Cn2nnc3ccccc32)nc2ccccc21
InChIInChI=1S/C19H21N5/c1-14(2)11-12-23-17-9-5-3-7-15(17)20-19(23)13-24-18-10-6-4-8-16(18)21-22-24/h3-10,14H,11-13H2,1-2H3
InChIKeyOYIXHPCYUATQPN-UHFFFAOYSA-N
XLogP3.88
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]benzotriazole?
The IUPAC name of 1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]benzotriazole (CID 5272007) is 1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]benzotriazole.
What is the SMILES notation for 1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]benzotriazole?
The canonical SMILES for 1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]benzotriazole is CC(C)CCn1c(Cn2nnc3ccccc32)nc2ccccc21.
What is the InChIKey of 1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]benzotriazole?
The InChIKey is OYIXHPCYUATQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-14(2)11-12-23-17-9-5-3-7-15(17)20-19(23)13-24-18-10-6-4-8-16(18)21-22-24/h3-10,14H,11-13H2,1-2H3.
What are the key properties of 1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]benzotriazole?
1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]benzotriazole has a molecular weight of 319.41 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]benzotriazole is sourced from PubChem (CID 5272007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).