1-[(1-butylbenzimidazol-2-yl)methyl]benzotriazole

C18H19N5 — CID 5272010

IUPAC1-[(1-butylbenzimidazol-2-yl)methyl]benzotriazole
SMILESCCCCn1c(Cn2nnc3ccccc32)nc2ccccc21
InChIInChI=1S/C18H19N5/c1-2-3-12-22-16-10-6-4-8-14(16)19-18(22)13-23-17-11-7-5-9-15(17)20-21-23/h4-11H,2-3,12-13H2,1H3
InChIKeyFGAGCEMOZWSMBH-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.63
Rot. Bonds5

About 1-[(1-butylbenzimidazol-2-yl)methyl]benzotriazole

1-[(1-butylbenzimidazol-2-yl)methyl]benzotriazole (PubChem CID 5272010) has the molecular formula C18H19N5 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-[(1-butylbenzimidazol-2-yl)methyl]benzotriazole.

Molecular Properties

Compound Name1-[(1-butylbenzimidazol-2-yl)methyl]benzotriazole
PubChem CID5272010
Molecular FormulaC18H19N5
Molecular Weight305.38 g/mol
Exact Mass305.16
IUPAC Name1-[(1-butylbenzimidazol-2-yl)methyl]benzotriazole
SMILESCCCCn1c(Cn2nnc3ccccc32)nc2ccccc21
InChIInChI=1S/C18H19N5/c1-2-3-12-22-16-10-6-4-8-14(16)19-18(22)13-23-17-11-7-5-9-15(17)20-21-23/h4-11H,2-3,12-13H2,1H3
InChIKeyFGAGCEMOZWSMBH-UHFFFAOYSA-N
XLogP3.63
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-butylbenzimidazol-2-yl)methyl]benzotriazole?
The IUPAC name of 1-[(1-butylbenzimidazol-2-yl)methyl]benzotriazole (CID 5272010) is 1-[(1-butylbenzimidazol-2-yl)methyl]benzotriazole.
What is the SMILES notation for 1-[(1-butylbenzimidazol-2-yl)methyl]benzotriazole?
The canonical SMILES for 1-[(1-butylbenzimidazol-2-yl)methyl]benzotriazole is CCCCn1c(Cn2nnc3ccccc32)nc2ccccc21.
What is the InChIKey of 1-[(1-butylbenzimidazol-2-yl)methyl]benzotriazole?
The InChIKey is FGAGCEMOZWSMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5/c1-2-3-12-22-16-10-6-4-8-14(16)19-18(22)13-23-17-11-7-5-9-15(17)20-21-23/h4-11H,2-3,12-13H2,1H3.
What are the key properties of 1-[(1-butylbenzimidazol-2-yl)methyl]benzotriazole?
1-[(1-butylbenzimidazol-2-yl)methyl]benzotriazole has a molecular weight of 305.38 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-butylbenzimidazol-2-yl)methyl]benzotriazole is sourced from PubChem (CID 5272010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).