6-[4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-1H-benzimidazole

C17H15N5O — CID 58433270

IUPAC6-[4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-1H-benzimidazole
SMILESCOc1ccc(Cn2cnnc2-c2ccc3nc[nH]c3c2)cc1
InChIInChI=1S/C17H15N5O/c1-23-14-5-2-12(3-6-14)9-22-11-20-21-17(22)13-4-7-15-16(8-13)19-10-18-15/h2-8,10-11H,9H2,1H3,(H,18,19)
InChIKeyJZAMRKLFZURLCV-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.88
Rot. Bonds4

About 6-[4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-1H-benzimidazole

6-[4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-1H-benzimidazole (PubChem CID 58433270) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 6-[4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-1H-benzimidazole.

Molecular Properties

Compound Name6-[4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-1H-benzimidazole
PubChem CID58433270
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name6-[4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-1H-benzimidazole
SMILESCOc1ccc(Cn2cnnc2-c2ccc3nc[nH]c3c2)cc1
InChIInChI=1S/C17H15N5O/c1-23-14-5-2-12(3-6-14)9-22-11-20-21-17(22)13-4-7-15-16(8-13)19-10-18-15/h2-8,10-11H,9H2,1H3,(H,18,19)
InChIKeyJZAMRKLFZURLCV-UHFFFAOYSA-N
XLogP2.88
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-1H-benzimidazole?
The IUPAC name of 6-[4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-1H-benzimidazole (CID 58433270) is 6-[4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-1H-benzimidazole.
What is the SMILES notation for 6-[4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-1H-benzimidazole?
The canonical SMILES for 6-[4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-1H-benzimidazole is COc1ccc(Cn2cnnc2-c2ccc3nc[nH]c3c2)cc1.
What is the InChIKey of 6-[4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-1H-benzimidazole?
The InChIKey is JZAMRKLFZURLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c1-23-14-5-2-12(3-6-14)9-22-11-20-21-17(22)13-4-7-15-16(8-13)19-10-18-15/h2-8,10-11H,9H2,1H3,(H,18,19).
What are the key properties of 6-[4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-1H-benzimidazole?
6-[4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-1H-benzimidazole has a molecular weight of 305.34 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-1H-benzimidazole is sourced from PubChem (CID 58433270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).