N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-5-(methoxymethyl)-1,3,4-oxadiazol-2-amine

C14H16FN5O2 — CID 137335411

IUPACN-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-5-(methoxymethyl)-1,3,4-oxadiazol-2-amine
SMILESCOCc1nnc(NCCCc2nc3ccc(F)cc3[nH]2)o1
InChIInChI=1S/C14H16FN5O2/c1-21-8-13-19-20-14(22-13)16-6-2-3-12-17-10-5-4-9(15)7-11(10)18-12/h4-5,7H,2-3,6,8H2,1H3,(H,16,20)(H,17,18)
InChIKeyZGIGOMVEHZKNEC-UHFFFAOYSA-N
MW305.31 g/mol
LogP2.28
Rot. Bonds7

About N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-5-(methoxymethyl)-1,3,4-oxadiazol-2-amine

N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-5-(methoxymethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 137335411) has the molecular formula C14H16FN5O2 and a molecular weight of 305.31 g/mol. Its IUPAC name is N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-5-(methoxymethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-5-(methoxymethyl)-1,3,4-oxadiazol-2-amine
PubChem CID137335411
Molecular FormulaC14H16FN5O2
Molecular Weight305.31 g/mol
Exact Mass305.13
IUPAC NameN-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-5-(methoxymethyl)-1,3,4-oxadiazol-2-amine
SMILESCOCc1nnc(NCCCc2nc3ccc(F)cc3[nH]2)o1
InChIInChI=1S/C14H16FN5O2/c1-21-8-13-19-20-14(22-13)16-6-2-3-12-17-10-5-4-9(15)7-11(10)18-12/h4-5,7H,2-3,6,8H2,1H3,(H,16,20)(H,17,18)
InChIKeyZGIGOMVEHZKNEC-UHFFFAOYSA-N
XLogP2.28
TPSA88.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3-methoxypropan-1-amine
CID 82336781
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CID 133412053
6-fluoro-2-undecyl-1H-benzimidazole
CID 65428080
N-ethyl-2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
CID 25218862
2-ethyl-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 118775456
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]aniline
CID 54924340
formic acid;4,4,4-trifluoro-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]butan-2-amine
CID 154908586
2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
CID 16767401
6-fluoro-2-[(2-methoxyphenoxy)methyl]-1H-benzimidazole
CID 71296316
N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-3-methylsulfanylpropanamide
CID 91781034
6-fluoro-2-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazole
CID 71367754
6-fluoro-2-(3-thiophen-2-ylpropyl)-1H-benzimidazole
CID 60978921

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-5-(methoxymethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-5-(methoxymethyl)-1,3,4-oxadiazol-2-amine (CID 137335411) is N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-5-(methoxymethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-5-(methoxymethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-5-(methoxymethyl)-1,3,4-oxadiazol-2-amine is COCc1nnc(NCCCc2nc3ccc(F)cc3[nH]2)o1.
What is the InChIKey of N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-5-(methoxymethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is ZGIGOMVEHZKNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN5O2/c1-21-8-13-19-20-14(22-13)16-6-2-3-12-17-10-5-4-9(15)7-11(10)18-12/h4-5,7H,2-3,6,8H2,1H3,(H,16,20)(H,17,18).
What are the key properties of N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-5-(methoxymethyl)-1,3,4-oxadiazol-2-amine?
N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-5-(methoxymethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 305.31 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-5-(methoxymethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 137335411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).