1-cyclopropyl-5-[2-(2-methylphenyl)-4H-imidazol-5-yl]benzotriazole

C19H17N5 — CID 156522165

IUPAC1-cyclopropyl-5-[2-(2-methylphenyl)-4H-imidazol-5-yl]benzotriazole
SMILESCc1ccccc1C1=NCC(c2ccc3c(c2)nnn3C2CC2)=N1
InChIInChI=1S/C19H17N5/c1-12-4-2-3-5-15(12)19-20-11-17(21-19)13-6-9-18-16(10-13)22-23-24(18)14-7-8-14/h2-6,9-10,14H,7-8,11H2,1H3
InChIKeySSGAINUQHFTMSU-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.32
Rot. Bonds3

About 1-cyclopropyl-5-[2-(2-methylphenyl)-4H-imidazol-5-yl]benzotriazole

1-cyclopropyl-5-[2-(2-methylphenyl)-4H-imidazol-5-yl]benzotriazole (PubChem CID 156522165) has the molecular formula C19H17N5 and a molecular weight of 315.38 g/mol. Its IUPAC name is 1-cyclopropyl-5-[2-(2-methylphenyl)-4H-imidazol-5-yl]benzotriazole.

Molecular Properties

Compound Name1-cyclopropyl-5-[2-(2-methylphenyl)-4H-imidazol-5-yl]benzotriazole
PubChem CID156522165
Molecular FormulaC19H17N5
Molecular Weight315.38 g/mol
Exact Mass315.15
IUPAC Name1-cyclopropyl-5-[2-(2-methylphenyl)-4H-imidazol-5-yl]benzotriazole
SMILESCc1ccccc1C1=NCC(c2ccc3c(c2)nnn3C2CC2)=N1
InChIInChI=1S/C19H17N5/c1-12-4-2-3-5-15(12)19-20-11-17(21-19)13-6-9-18-16(10-13)22-23-24(18)14-7-8-14/h2-6,9-10,14H,7-8,11H2,1H3
InChIKeySSGAINUQHFTMSU-UHFFFAOYSA-N
XLogP3.32
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-[2-(2-methylphenyl)-4H-imidazol-5-yl]benzotriazole?
The IUPAC name of 1-cyclopropyl-5-[2-(2-methylphenyl)-4H-imidazol-5-yl]benzotriazole (CID 156522165) is 1-cyclopropyl-5-[2-(2-methylphenyl)-4H-imidazol-5-yl]benzotriazole.
What is the SMILES notation for 1-cyclopropyl-5-[2-(2-methylphenyl)-4H-imidazol-5-yl]benzotriazole?
The canonical SMILES for 1-cyclopropyl-5-[2-(2-methylphenyl)-4H-imidazol-5-yl]benzotriazole is Cc1ccccc1C1=NCC(c2ccc3c(c2)nnn3C2CC2)=N1.
What is the InChIKey of 1-cyclopropyl-5-[2-(2-methylphenyl)-4H-imidazol-5-yl]benzotriazole?
The InChIKey is SSGAINUQHFTMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5/c1-12-4-2-3-5-15(12)19-20-11-17(21-19)13-6-9-18-16(10-13)22-23-24(18)14-7-8-14/h2-6,9-10,14H,7-8,11H2,1H3.
What are the key properties of 1-cyclopropyl-5-[2-(2-methylphenyl)-4H-imidazol-5-yl]benzotriazole?
1-cyclopropyl-5-[2-(2-methylphenyl)-4H-imidazol-5-yl]benzotriazole has a molecular weight of 315.38 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-[2-(2-methylphenyl)-4H-imidazol-5-yl]benzotriazole is sourced from PubChem (CID 156522165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).