N-(2-butoxyethyl)-6-fluoro-1H-benzimidazol-2-amine

C13H18FN3O — CID 103294786

IUPACN-(2-butoxyethyl)-6-fluoro-1H-benzimidazol-2-amine
SMILESCCCCOCCNc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C13H18FN3O/c1-2-3-7-18-8-6-15-13-16-11-5-4-10(14)9-12(11)17-13/h4-5,9H,2-3,6-8H2,1H3,(H2,15,16,17)
InChIKeyJBKYNGFMTFCJIG-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.93
Rot. Bonds7

About N-(2-butoxyethyl)-6-fluoro-1H-benzimidazol-2-amine

N-(2-butoxyethyl)-6-fluoro-1H-benzimidazol-2-amine (PubChem CID 103294786) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is N-(2-butoxyethyl)-6-fluoro-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-(2-butoxyethyl)-6-fluoro-1H-benzimidazol-2-amine
PubChem CID103294786
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC NameN-(2-butoxyethyl)-6-fluoro-1H-benzimidazol-2-amine
SMILESCCCCOCCNc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C13H18FN3O/c1-2-3-7-18-8-6-15-13-16-11-5-4-10(14)9-12(11)17-13/h4-5,9H,2-3,6-8H2,1H3,(H2,15,16,17)
InChIKeyJBKYNGFMTFCJIG-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
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-decyl-6-fluoro-1H-benzimidazol-2-amine
CID 103295033
6-fluoro-N-(3-methylsulfanylpropyl)-1H-benzimidazol-2-amine
CID 103294952
N-(6-fluoro-1H-benzimidazol-2-yl)-N',N'-dimethylethane-1,2-diamine
CID 103294650
N-(3-cyclopropylpropyl)-6-fluoro-1H-benzimidazol-2-amine
CID 103295166
6-fluoro-N-octan-4-yl-1H-benzimidazol-2-amine
CID 106026592
N-(6-fluoro-1H-benzimidazol-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 103294912
3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-N-propylpropanamide
CID 103294871
N-(2-butoxyethyl)-4-fluoroaniline
CID 61482924
6-fluoro-N-(2-methylsulfinylethyl)-1H-benzimidazol-2-amine
CID 103295135
3-[(6-fluoro-1H-benzimidazol-2-yl)amino]propane-1-sulfonamide
CID 103294870
4-fluoro-N-(2-heptoxyethyl)aniline
CID 63505615
N-butyl-6-iodo-1H-benzimidazol-2-amine
CID 162670767

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-6-fluoro-1H-benzimidazol-2-amine?
The IUPAC name of N-(2-butoxyethyl)-6-fluoro-1H-benzimidazol-2-amine (CID 103294786) is N-(2-butoxyethyl)-6-fluoro-1H-benzimidazol-2-amine.
What is the SMILES notation for N-(2-butoxyethyl)-6-fluoro-1H-benzimidazol-2-amine?
The canonical SMILES for N-(2-butoxyethyl)-6-fluoro-1H-benzimidazol-2-amine is CCCCOCCNc1nc2ccc(F)cc2[nH]1.
What is the InChIKey of N-(2-butoxyethyl)-6-fluoro-1H-benzimidazol-2-amine?
The InChIKey is JBKYNGFMTFCJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c1-2-3-7-18-8-6-15-13-16-11-5-4-10(14)9-12(11)17-13/h4-5,9H,2-3,6-8H2,1H3,(H2,15,16,17).
What are the key properties of N-(2-butoxyethyl)-6-fluoro-1H-benzimidazol-2-amine?
N-(2-butoxyethyl)-6-fluoro-1H-benzimidazol-2-amine has a molecular weight of 251.30 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-6-fluoro-1H-benzimidazol-2-amine is sourced from PubChem (CID 103294786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).