1-(2-phenoxyethyl)-N-(1,2,4-triazol-4-yl)benzimidazol-2-amine

C17H16N6O — CID 1298158

IUPAC1-(2-phenoxyethyl)-N-(1,2,4-triazol-4-yl)benzimidazol-2-amine
SMILESc1ccc(OCCn2c(Nn3cnnc3)nc3ccccc32)cc1
InChIInChI=1S/C17H16N6O/c1-2-6-14(7-3-1)24-11-10-23-16-9-5-4-8-15(16)20-17(23)21-22-12-18-19-13-22/h1-9,12-13H,10-11H2,(H,20,21)
InChIKeyBVXXZCYDTRMUOE-UHFFFAOYSA-N
MW320.36 g/mol
LogP2.58
Rot. Bonds6

About 1-(2-phenoxyethyl)-N-(1,2,4-triazol-4-yl)benzimidazol-2-amine

1-(2-phenoxyethyl)-N-(1,2,4-triazol-4-yl)benzimidazol-2-amine (PubChem CID 1298158) has the molecular formula C17H16N6O and a molecular weight of 320.36 g/mol. Its IUPAC name is 1-(2-phenoxyethyl)-N-(1,2,4-triazol-4-yl)benzimidazol-2-amine.

Molecular Properties

Compound Name1-(2-phenoxyethyl)-N-(1,2,4-triazol-4-yl)benzimidazol-2-amine
PubChem CID1298158
Molecular FormulaC17H16N6O
Molecular Weight320.36 g/mol
Exact Mass320.14
IUPAC Name1-(2-phenoxyethyl)-N-(1,2,4-triazol-4-yl)benzimidazol-2-amine
SMILESc1ccc(OCCn2c(Nn3cnnc3)nc3ccccc32)cc1
InChIInChI=1S/C17H16N6O/c1-2-6-14(7-3-1)24-11-10-23-16-9-5-4-8-15(16)20-17(23)21-22-12-18-19-13-22/h1-9,12-13H,10-11H2,(H,20,21)
InChIKeyBVXXZCYDTRMUOE-UHFFFAOYSA-N
XLogP2.58
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-phenoxyethyl)-N-phenylbenzimidazol-2-amine
CID 751751
3-[[1-(2-phenoxyethyl)benzimidazol-2-yl]amino]propan-1-ol
CID 43828964
1-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzimidazol-2-amine
CID 82359465
N-[(2-chlorophenyl)methyl]-1-(2-phenoxyethyl)benzimidazol-2-amine
CID 68541525
1-(2-phenoxyethyl)-2-(phenoxymethyl)benzimidazole
CID 709525
1-(2-phenoxyethyl)-N-piperidin-4-ylbenzimidazol-2-amine
CID 15718956
2-[(1R)-1-phenoxyethyl]-1-(2-phenoxyethyl)benzimidazole
CID 7574593
N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]prop-2-enamide
CID 16972240
N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]acetamide
CID 17005925
N-fluoro-1-[3-(4-fluorophenoxy)propyl]benzimidazol-2-amine
CID 141271301
N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]cyclopropanecarboxamide
CID 16969825
3-nitro-N-[1-(2-phenoxyethyl)benzimidazol-2-yl]benzamide
CID 1492393

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenoxyethyl)-N-(1,2,4-triazol-4-yl)benzimidazol-2-amine?
The IUPAC name of 1-(2-phenoxyethyl)-N-(1,2,4-triazol-4-yl)benzimidazol-2-amine (CID 1298158) is 1-(2-phenoxyethyl)-N-(1,2,4-triazol-4-yl)benzimidazol-2-amine.
What is the SMILES notation for 1-(2-phenoxyethyl)-N-(1,2,4-triazol-4-yl)benzimidazol-2-amine?
The canonical SMILES for 1-(2-phenoxyethyl)-N-(1,2,4-triazol-4-yl)benzimidazol-2-amine is c1ccc(OCCn2c(Nn3cnnc3)nc3ccccc32)cc1.
What is the InChIKey of 1-(2-phenoxyethyl)-N-(1,2,4-triazol-4-yl)benzimidazol-2-amine?
The InChIKey is BVXXZCYDTRMUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O/c1-2-6-14(7-3-1)24-11-10-23-16-9-5-4-8-15(16)20-17(23)21-22-12-18-19-13-22/h1-9,12-13H,10-11H2,(H,20,21).
What are the key properties of 1-(2-phenoxyethyl)-N-(1,2,4-triazol-4-yl)benzimidazol-2-amine?
1-(2-phenoxyethyl)-N-(1,2,4-triazol-4-yl)benzimidazol-2-amine has a molecular weight of 320.36 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxyethyl)-N-(1,2,4-triazol-4-yl)benzimidazol-2-amine is sourced from PubChem (CID 1298158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).