6-fluoro-1-(3-methoxy-2-methylpropyl)benzimidazol-2-amine

C12H16FN3O — CID 62376506

IUPAC6-fluoro-1-(3-methoxy-2-methylpropyl)benzimidazol-2-amine
SMILESCOCC(C)Cn1c(N)nc2ccc(F)cc21
InChIInChI=1S/C12H16FN3O/c1-8(7-17-2)6-16-11-5-9(13)3-4-10(11)15-12(16)14/h3-5,8H,6-7H2,1-2H3,(H2,14,15)
InChIKeyMHCOBCYFPNVGCG-UHFFFAOYSA-N
MW237.28 g/mol
LogP2.04
Rot. Bonds4

About 6-fluoro-1-(3-methoxy-2-methylpropyl)benzimidazol-2-amine

6-fluoro-1-(3-methoxy-2-methylpropyl)benzimidazol-2-amine (PubChem CID 62376506) has the molecular formula C12H16FN3O and a molecular weight of 237.28 g/mol. Its IUPAC name is 6-fluoro-1-(3-methoxy-2-methylpropyl)benzimidazol-2-amine.

Molecular Properties

Compound Name6-fluoro-1-(3-methoxy-2-methylpropyl)benzimidazol-2-amine
PubChem CID62376506
Molecular FormulaC12H16FN3O
Molecular Weight237.28 g/mol
Exact Mass237.13
IUPAC Name6-fluoro-1-(3-methoxy-2-methylpropyl)benzimidazol-2-amine
SMILESCOCC(C)Cn1c(N)nc2ccc(F)cc21
InChIInChI=1S/C12H16FN3O/c1-8(7-17-2)6-16-11-5-9(13)3-4-10(11)15-12(16)14/h3-5,8H,6-7H2,1-2H3,(H2,14,15)
InChIKeyMHCOBCYFPNVGCG-UHFFFAOYSA-N
XLogP2.04
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-fluoro-1-(3-methoxy-2-methylpropyl)benzimidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-(3-methoxy-2-methylpropyl)benzimidazol-2-amine?
The IUPAC name of 6-fluoro-1-(3-methoxy-2-methylpropyl)benzimidazol-2-amine (CID 62376506) is 6-fluoro-1-(3-methoxy-2-methylpropyl)benzimidazol-2-amine.
What is the SMILES notation for 6-fluoro-1-(3-methoxy-2-methylpropyl)benzimidazol-2-amine?
The canonical SMILES for 6-fluoro-1-(3-methoxy-2-methylpropyl)benzimidazol-2-amine is COCC(C)Cn1c(N)nc2ccc(F)cc21.
What is the InChIKey of 6-fluoro-1-(3-methoxy-2-methylpropyl)benzimidazol-2-amine?
The InChIKey is MHCOBCYFPNVGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O/c1-8(7-17-2)6-16-11-5-9(13)3-4-10(11)15-12(16)14/h3-5,8H,6-7H2,1-2H3,(H2,14,15).
What are the key properties of 6-fluoro-1-(3-methoxy-2-methylpropyl)benzimidazol-2-amine?
6-fluoro-1-(3-methoxy-2-methylpropyl)benzimidazol-2-amine has a molecular weight of 237.28 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-(3-methoxy-2-methylpropyl)benzimidazol-2-amine is sourced from PubChem (CID 62376506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).