1-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclohexan-1-amine

C17H24FN3 — CID 64672217

IUPAC1-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclohexan-1-amine
SMILESCCCn1c(CC2(N)CCCCC2)nc2c(F)cccc21
InChIInChI=1S/C17H24FN3/c1-2-11-21-14-8-6-7-13(18)16(14)20-15(21)12-17(19)9-4-3-5-10-17/h6-8H,2-5,9-12,19H2,1H3
InChIKeyNLUBUEYNJCUASO-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.79
Rot. Bonds4

About 1-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclohexan-1-amine

1-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclohexan-1-amine (PubChem CID 64672217) has the molecular formula C17H24FN3 and a molecular weight of 289.40 g/mol. Its IUPAC name is 1-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclohexan-1-amine
PubChem CID64672217
Molecular FormulaC17H24FN3
Molecular Weight289.40 g/mol
Exact Mass289.20
IUPAC Name1-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclohexan-1-amine
SMILESCCCn1c(CC2(N)CCCCC2)nc2c(F)cccc21
InChIInChI=1S/C17H24FN3/c1-2-11-21-14-8-6-7-13(18)16(14)20-15(21)12-17(19)9-4-3-5-10-17/h6-8H,2-5,9-12,19H2,1H3
InChIKeyNLUBUEYNJCUASO-UHFFFAOYSA-N
XLogP3.79
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 1-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclohexan-1-amine (CID 64672217) is 1-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 1-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclohexan-1-amine is CCCn1c(CC2(N)CCCCC2)nc2c(F)cccc21.
What is the InChIKey of 1-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclohexan-1-amine?
The InChIKey is NLUBUEYNJCUASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3/c1-2-11-21-14-8-6-7-13(18)16(14)20-15(21)12-17(19)9-4-3-5-10-17/h6-8H,2-5,9-12,19H2,1H3.
What are the key properties of 1-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclohexan-1-amine?
1-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclohexan-1-amine has a molecular weight of 289.40 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 64672217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).