N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine

C17H16FN5O — CID 82563676

IUPACN-[2-(4-fluorophenyl)ethyl]-6-methoxy-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
SMILESCOc1ccc2c(c1)nc1nc(NCCc3ccc(F)cc3)[nH]n12
InChIInChI=1S/C17H16FN5O/c1-24-13-6-7-15-14(10-13)20-17-21-16(22-23(15)17)19-9-8-11-2-4-12(18)5-3-11/h2-7,10H,8-9H2,1H3,(H2,19,20,21,22)
InChIKeyLXGVURCKGODXFZ-UHFFFAOYSA-N
MW325.35 g/mol
LogP3.01
Rot. Bonds5

About N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine

N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine (PubChem CID 82563676) has the molecular formula C17H16FN5O and a molecular weight of 325.35 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-6-methoxy-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
PubChem CID82563676
Molecular FormulaC17H16FN5O
Molecular Weight325.35 g/mol
Exact Mass325.13
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-6-methoxy-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
SMILESCOc1ccc2c(c1)nc1nc(NCCc3ccc(F)cc3)[nH]n12
InChIInChI=1S/C17H16FN5O/c1-24-13-6-7-15-14(10-13)20-17-21-16(22-23(15)17)19-9-8-11-2-4-12(18)5-3-11/h2-7,10H,8-9H2,1H3,(H2,19,20,21,22)
InChIKeyLXGVURCKGODXFZ-UHFFFAOYSA-N
XLogP3.01
TPSA67.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-fluorophenyl)methyl]-6-methoxy-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
CID 82563672
4-N-[2-(4-fluorophenyl)ethyl]-6-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112874009
4-[2-(4-fluorophenyl)ethylamino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214179
6-N-[2-(4-fluorophenyl)ethyl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860201
2-fluoro-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 82538755
5-fluoro-N-[2-(4-methoxyphenyl)ethyl]pyridin-2-amine
CID 61311581
2-[2-(4-fluorophenyl)ethylamino]-4-methoxybenzenecarbothioamide
CID 81297627
N-[2-(4-fluorophenyl)ethyl]-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109212249
N-[2-(4-fluorophenyl)ethyl]-1-(5-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121128838
6-[2-(4-fluorophenyl)ethylamino]-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109351005
4-N-[2-(4-fluorophenyl)ethyl]-2-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-2,4-diamine
CID 112894692
4-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine
CID 12790440

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine (CID 82563676) is N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine is COc1ccc2c(c1)nc1nc(NCCc3ccc(F)cc3)[nH]n12.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine?
The InChIKey is LXGVURCKGODXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O/c1-24-13-6-7-15-14(10-13)20-17-21-16(22-23(15)17)19-9-8-11-2-4-12(18)5-3-11/h2-7,10H,8-9H2,1H3,(H2,19,20,21,22).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine?
N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine has a molecular weight of 325.35 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine is sourced from PubChem (CID 82563676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).