1-(cyclohexylmethyl)-5-fluorobenzimidazol-2-amine

C14H18FN3 — CID 43662075

IUPAC1-(cyclohexylmethyl)-5-fluorobenzimidazol-2-amine
SMILESNc1nc2cc(F)ccc2n1CC1CCCCC1
InChIInChI=1S/C14H18FN3/c15-11-6-7-13-12(8-11)17-14(16)18(13)9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H2,16,17)
InChIKeyHWMSJBKGXZCNSR-UHFFFAOYSA-N
MW247.32 g/mol
LogP3.34
Rot. Bonds2

About 1-(cyclohexylmethyl)-5-fluorobenzimidazol-2-amine

1-(cyclohexylmethyl)-5-fluorobenzimidazol-2-amine (PubChem CID 43662075) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-5-fluorobenzimidazol-2-amine.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-5-fluorobenzimidazol-2-amine
PubChem CID43662075
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name1-(cyclohexylmethyl)-5-fluorobenzimidazol-2-amine
SMILESNc1nc2cc(F)ccc2n1CC1CCCCC1
InChIInChI=1S/C14H18FN3/c15-11-6-7-13-12(8-11)17-14(16)18(13)9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H2,16,17)
InChIKeyHWMSJBKGXZCNSR-UHFFFAOYSA-N
XLogP3.34
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-5-fluorobenzimidazol-2-amine?
The IUPAC name of 1-(cyclohexylmethyl)-5-fluorobenzimidazol-2-amine (CID 43662075) is 1-(cyclohexylmethyl)-5-fluorobenzimidazol-2-amine.
What is the SMILES notation for 1-(cyclohexylmethyl)-5-fluorobenzimidazol-2-amine?
The canonical SMILES for 1-(cyclohexylmethyl)-5-fluorobenzimidazol-2-amine is Nc1nc2cc(F)ccc2n1CC1CCCCC1.
What is the InChIKey of 1-(cyclohexylmethyl)-5-fluorobenzimidazol-2-amine?
The InChIKey is HWMSJBKGXZCNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c15-11-6-7-13-12(8-11)17-14(16)18(13)9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H2,16,17).
What are the key properties of 1-(cyclohexylmethyl)-5-fluorobenzimidazol-2-amine?
1-(cyclohexylmethyl)-5-fluorobenzimidazol-2-amine has a molecular weight of 247.32 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-5-fluorobenzimidazol-2-amine is sourced from PubChem (CID 43662075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).