1-(5-fluoro-1-methylbenzimidazol-2-yl)-4-methylcyclohexan-1-amine

C15H20FN3 — CID 61290864

IUPAC1-(5-fluoro-1-methylbenzimidazol-2-yl)-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)(c2nc3cc(F)ccc3n2C)CC1
InChIInChI=1S/C15H20FN3/c1-10-5-7-15(17,8-6-10)14-18-12-9-11(16)3-4-13(12)19(14)2/h3-4,9-10H,5-8,17H2,1-2H3
InChIKeyCDYYTHZOOGMZFT-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.08
Rot. Bonds1

About 1-(5-fluoro-1-methylbenzimidazol-2-yl)-4-methylcyclohexan-1-amine

1-(5-fluoro-1-methylbenzimidazol-2-yl)-4-methylcyclohexan-1-amine (PubChem CID 61290864) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 1-(5-fluoro-1-methylbenzimidazol-2-yl)-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-1-methylbenzimidazol-2-yl)-4-methylcyclohexan-1-amine
PubChem CID61290864
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name1-(5-fluoro-1-methylbenzimidazol-2-yl)-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)(c2nc3cc(F)ccc3n2C)CC1
InChIInChI=1S/C15H20FN3/c1-10-5-7-15(17,8-6-10)14-18-12-9-11(16)3-4-13(12)19(14)2/h3-4,9-10H,5-8,17H2,1-2H3
InChIKeyCDYYTHZOOGMZFT-UHFFFAOYSA-N
XLogP3.08
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1-methylbenzimidazol-2-yl)-4-methylcyclohexan-1-amine?
The IUPAC name of 1-(5-fluoro-1-methylbenzimidazol-2-yl)-4-methylcyclohexan-1-amine (CID 61290864) is 1-(5-fluoro-1-methylbenzimidazol-2-yl)-4-methylcyclohexan-1-amine.
What is the SMILES notation for 1-(5-fluoro-1-methylbenzimidazol-2-yl)-4-methylcyclohexan-1-amine?
The canonical SMILES for 1-(5-fluoro-1-methylbenzimidazol-2-yl)-4-methylcyclohexan-1-amine is CC1CCC(N)(c2nc3cc(F)ccc3n2C)CC1.
What is the InChIKey of 1-(5-fluoro-1-methylbenzimidazol-2-yl)-4-methylcyclohexan-1-amine?
The InChIKey is CDYYTHZOOGMZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-10-5-7-15(17,8-6-10)14-18-12-9-11(16)3-4-13(12)19(14)2/h3-4,9-10H,5-8,17H2,1-2H3.
What are the key properties of 1-(5-fluoro-1-methylbenzimidazol-2-yl)-4-methylcyclohexan-1-amine?
1-(5-fluoro-1-methylbenzimidazol-2-yl)-4-methylcyclohexan-1-amine has a molecular weight of 261.34 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1-methylbenzimidazol-2-yl)-4-methylcyclohexan-1-amine is sourced from PubChem (CID 61290864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).