N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3-methoxypropan-1-amine

C13H18FN3O — CID 82336781

IUPACN-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3-methoxypropan-1-amine
SMILESCOCCCNCCc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C13H18FN3O/c1-18-8-2-6-15-7-5-13-16-11-4-3-10(14)9-12(11)17-13/h3-4,9,15H,2,5-8H2,1H3,(H,16,17)
InChIKeyFBPKLJRNMRRFTE-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.87
Rot. Bonds7

About N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3-methoxypropan-1-amine

N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3-methoxypropan-1-amine (PubChem CID 82336781) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3-methoxypropan-1-amine.

Molecular Properties

Compound NameN-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3-methoxypropan-1-amine
PubChem CID82336781
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC NameN-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3-methoxypropan-1-amine
SMILESCOCCCNCCc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C13H18FN3O/c1-18-8-2-6-15-7-5-13-16-11-4-3-10(14)9-12(11)17-13/h3-4,9,15H,2,5-8H2,1H3,(H,16,17)
InChIKeyFBPKLJRNMRRFTE-UHFFFAOYSA-N
XLogP1.87
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
CID 25218862
6-fluoro-2-undecyl-1H-benzimidazole
CID 65428080
N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]hexan-1-amine
CID 82336889
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]aniline
CID 54924340
N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-5-(methoxymethyl)-1,3,4-oxadiazol-2-amine
CID 137335411
2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
CID 16767401
6-fluoro-2-(3-methoxypropyl)-3H-quinazolin-4-one
CID 154775058
2-tert-butyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine
CID 133412053
6-fluoro-2-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazole
CID 71367754
N-(1H-benzimidazol-2-ylmethyl)-3-methoxypropan-1-amine
CID 83961851
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-(methylamino)butanamide;dihydrochloride
CID 119898334
N-[2-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl]hexan-1-amine
CID 82336897

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3-methoxypropan-1-amine?
The IUPAC name of N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3-methoxypropan-1-amine (CID 82336781) is N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3-methoxypropan-1-amine.
What is the SMILES notation for N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3-methoxypropan-1-amine?
The canonical SMILES for N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3-methoxypropan-1-amine is COCCCNCCc1nc2ccc(F)cc2[nH]1.
What is the InChIKey of N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3-methoxypropan-1-amine?
The InChIKey is FBPKLJRNMRRFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c1-18-8-2-6-15-7-5-13-16-11-4-3-10(14)9-12(11)17-13/h3-4,9,15H,2,5-8H2,1H3,(H,16,17).
What are the key properties of N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3-methoxypropan-1-amine?
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3-methoxypropan-1-amine has a molecular weight of 251.30 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3-methoxypropan-1-amine is sourced from PubChem (CID 82336781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).