2-(4-fluoro-1-propylbenzimidazol-2-yl)-2-methylcyclohexan-1-amine

C17H24FN3 — CID 83210870

IUPAC2-(4-fluoro-1-propylbenzimidazol-2-yl)-2-methylcyclohexan-1-amine
SMILESCCCn1c(C2(C)CCCCC2N)nc2c(F)cccc21
InChIInChI=1S/C17H24FN3/c1-3-11-21-13-8-6-7-12(18)15(13)20-16(21)17(2)10-5-4-9-14(17)19/h6-8,14H,3-5,9-11,19H2,1-2H3
InChIKeyKFXCARFJEADNKA-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.74
Rot. Bonds3

About 2-(4-fluoro-1-propylbenzimidazol-2-yl)-2-methylcyclohexan-1-amine

2-(4-fluoro-1-propylbenzimidazol-2-yl)-2-methylcyclohexan-1-amine (PubChem CID 83210870) has the molecular formula C17H24FN3 and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-(4-fluoro-1-propylbenzimidazol-2-yl)-2-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(4-fluoro-1-propylbenzimidazol-2-yl)-2-methylcyclohexan-1-amine
PubChem CID83210870
Molecular FormulaC17H24FN3
Molecular Weight289.40 g/mol
Exact Mass289.20
IUPAC Name2-(4-fluoro-1-propylbenzimidazol-2-yl)-2-methylcyclohexan-1-amine
SMILESCCCn1c(C2(C)CCCCC2N)nc2c(F)cccc21
InChIInChI=1S/C17H24FN3/c1-3-11-21-13-8-6-7-12(18)15(13)20-16(21)17(2)10-5-4-9-14(17)19/h6-8,14H,3-5,9-11,19H2,1-2H3
InChIKeyKFXCARFJEADNKA-UHFFFAOYSA-N
XLogP3.74
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-1-propylbenzimidazol-2-yl)-2-methylcyclohexan-1-amine?
The IUPAC name of 2-(4-fluoro-1-propylbenzimidazol-2-yl)-2-methylcyclohexan-1-amine (CID 83210870) is 2-(4-fluoro-1-propylbenzimidazol-2-yl)-2-methylcyclohexan-1-amine.
What is the SMILES notation for 2-(4-fluoro-1-propylbenzimidazol-2-yl)-2-methylcyclohexan-1-amine?
The canonical SMILES for 2-(4-fluoro-1-propylbenzimidazol-2-yl)-2-methylcyclohexan-1-amine is CCCn1c(C2(C)CCCCC2N)nc2c(F)cccc21.
What is the InChIKey of 2-(4-fluoro-1-propylbenzimidazol-2-yl)-2-methylcyclohexan-1-amine?
The InChIKey is KFXCARFJEADNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3/c1-3-11-21-13-8-6-7-12(18)15(13)20-16(21)17(2)10-5-4-9-14(17)19/h6-8,14H,3-5,9-11,19H2,1-2H3.
What are the key properties of 2-(4-fluoro-1-propylbenzimidazol-2-yl)-2-methylcyclohexan-1-amine?
2-(4-fluoro-1-propylbenzimidazol-2-yl)-2-methylcyclohexan-1-amine has a molecular weight of 289.40 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-1-propylbenzimidazol-2-yl)-2-methylcyclohexan-1-amine is sourced from PubChem (CID 83210870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).