1-(2-cyclohexylethyl)-4-fluorobenzimidazol-2-amine

C15H20FN3 — CID 54932950

IUPAC1-(2-cyclohexylethyl)-4-fluorobenzimidazol-2-amine
SMILESNc1nc2c(F)cccc2n1CCC1CCCCC1
InChIInChI=1S/C15H20FN3/c16-12-7-4-8-13-14(12)18-15(17)19(13)10-9-11-5-2-1-3-6-11/h4,7-8,11H,1-3,5-6,9-10H2,(H2,17,18)
InChIKeyRMCJHWCCGFPAOH-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.73
Rot. Bonds3

About 1-(2-cyclohexylethyl)-4-fluorobenzimidazol-2-amine

1-(2-cyclohexylethyl)-4-fluorobenzimidazol-2-amine (PubChem CID 54932950) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 1-(2-cyclohexylethyl)-4-fluorobenzimidazol-2-amine.

Molecular Properties

Compound Name1-(2-cyclohexylethyl)-4-fluorobenzimidazol-2-amine
PubChem CID54932950
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name1-(2-cyclohexylethyl)-4-fluorobenzimidazol-2-amine
SMILESNc1nc2c(F)cccc2n1CCC1CCCCC1
InChIInChI=1S/C15H20FN3/c16-12-7-4-8-13-14(12)18-15(17)19(13)10-9-11-5-2-1-3-6-11/h4,7-8,11H,1-3,5-6,9-10H2,(H2,17,18)
InChIKeyRMCJHWCCGFPAOH-UHFFFAOYSA-N
XLogP3.73
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-1-(3-cyclopentylpropyl)benzimidazol-2-amine
CID 106008029
4-fluoro-1-(oxan-2-ylmethyl)benzimidazol-2-amine
CID 55013966
5-chloro-1-(2-cyclohexylethyl)-6-fluorobenzimidazol-2-amine
CID 66078119
2-amino-1-(3-cyclopentylpropyl)benzimidazole-4-carbonitrile
CID 106008009
1-(2-cyclopentylethyl)-5-fluorobenzimidazol-2-amine
CID 54932894
4-fluoro-1-(2-methylsulfonylethyl)benzimidazol-2-amine
CID 54934889
1-[2-(4-chlorophenyl)ethyl]-4-fluorobenzimidazol-2-amine
CID 61380518
2-(1-chloroethyl)-1-(3-cyclopentylpropyl)-4-fluorobenzimidazole
CID 106005319
4-fluoro-1-[2-(1-methylpyrazol-4-yl)ethyl]benzimidazol-2-amine
CID 80688567
4-fluoro-1-[(2-fluorophenyl)methyl]benzimidazol-2-amine
CID 54920355
2-(2-amino-4-fluorobenzimidazol-1-yl)cyclohexan-1-ol
CID 62359258
4-fluoro-1-(7-methyloctyl)benzimidazol-2-amine
CID 107816932

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylethyl)-4-fluorobenzimidazol-2-amine?
The IUPAC name of 1-(2-cyclohexylethyl)-4-fluorobenzimidazol-2-amine (CID 54932950) is 1-(2-cyclohexylethyl)-4-fluorobenzimidazol-2-amine.
What is the SMILES notation for 1-(2-cyclohexylethyl)-4-fluorobenzimidazol-2-amine?
The canonical SMILES for 1-(2-cyclohexylethyl)-4-fluorobenzimidazol-2-amine is Nc1nc2c(F)cccc2n1CCC1CCCCC1.
What is the InChIKey of 1-(2-cyclohexylethyl)-4-fluorobenzimidazol-2-amine?
The InChIKey is RMCJHWCCGFPAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c16-12-7-4-8-13-14(12)18-15(17)19(13)10-9-11-5-2-1-3-6-11/h4,7-8,11H,1-3,5-6,9-10H2,(H2,17,18).
What are the key properties of 1-(2-cyclohexylethyl)-4-fluorobenzimidazol-2-amine?
1-(2-cyclohexylethyl)-4-fluorobenzimidazol-2-amine has a molecular weight of 261.34 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylethyl)-4-fluorobenzimidazol-2-amine is sourced from PubChem (CID 54932950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).