N-decyl-6-fluoro-1H-benzimidazol-2-amine

C17H26FN3 — CID 103295033

IUPACN-decyl-6-fluoro-1H-benzimidazol-2-amine
SMILESCCCCCCCCCCNc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C17H26FN3/c1-2-3-4-5-6-7-8-9-12-19-17-20-15-11-10-14(18)13-16(15)21-17/h10-11,13H,2-9,12H2,1H3,(H2,19,20,21)
InChIKeyDIWSDERIFBGPIW-UHFFFAOYSA-N
MW291.41 g/mol
LogP5.25
Rot. Bonds10

About N-decyl-6-fluoro-1H-benzimidazol-2-amine

N-decyl-6-fluoro-1H-benzimidazol-2-amine (PubChem CID 103295033) has the molecular formula C17H26FN3 and a molecular weight of 291.41 g/mol. Its IUPAC name is N-decyl-6-fluoro-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-decyl-6-fluoro-1H-benzimidazol-2-amine
PubChem CID103295033
Molecular FormulaC17H26FN3
Molecular Weight291.41 g/mol
Exact Mass291.21
IUPAC NameN-decyl-6-fluoro-1H-benzimidazol-2-amine
SMILESCCCCCCCCCCNc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C17H26FN3/c1-2-3-4-5-6-7-8-9-12-19-17-20-15-11-10-14(18)13-16(15)21-17/h10-11,13H,2-9,12H2,1H3,(H2,19,20,21)
InChIKeyDIWSDERIFBGPIW-UHFFFAOYSA-N
XLogP5.25
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.41
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-butoxyethyl)-6-fluoro-1H-benzimidazol-2-amine
CID 103294786
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
3-[(6-fluoro-1H-benzimidazol-2-yl)amino]propane-1-sulfonamide
CID 103294870
N-butyl-6-iodo-1H-benzimidazol-2-amine
CID 162670767
3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-N-propylpropanamide
CID 103294871
6-fluoro-N-(2-methylsulfinylethyl)-1H-benzimidazol-2-amine
CID 103295135
N-pentyl-1H-benzimidazol-2-amine;hydrochloride
CID 174826614
6-fluoro-N-octan-4-yl-1H-benzimidazol-2-amine
CID 106026592
6-fluoro-2-undecyl-1H-benzimidazole
CID 65428080
N-(6-fluoro-1H-benzimidazol-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 103294912

Frequently Asked Questions

What is the IUPAC name of N-decyl-6-fluoro-1H-benzimidazol-2-amine?
The IUPAC name of N-decyl-6-fluoro-1H-benzimidazol-2-amine (CID 103295033) is N-decyl-6-fluoro-1H-benzimidazol-2-amine.
What is the SMILES notation for N-decyl-6-fluoro-1H-benzimidazol-2-amine?
The canonical SMILES for N-decyl-6-fluoro-1H-benzimidazol-2-amine is CCCCCCCCCCNc1nc2ccc(F)cc2[nH]1.
What is the InChIKey of N-decyl-6-fluoro-1H-benzimidazol-2-amine?
The InChIKey is DIWSDERIFBGPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3/c1-2-3-4-5-6-7-8-9-12-19-17-20-15-11-10-14(18)13-16(15)21-17/h10-11,13H,2-9,12H2,1H3,(H2,19,20,21).
What are the key properties of N-decyl-6-fluoro-1H-benzimidazol-2-amine?
N-decyl-6-fluoro-1H-benzimidazol-2-amine has a molecular weight of 291.41 g/mol, XLogP of 5.25, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-decyl-6-fluoro-1H-benzimidazol-2-amine is sourced from PubChem (CID 103295033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).