1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]cyclohexan-1-amine

C16H22FN3 — CID 64672025

IUPAC1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]cyclohexan-1-amine
SMILESCCn1c(CC2(N)CCCCC2)nc2c(F)cccc21
InChIInChI=1S/C16H22FN3/c1-2-20-13-8-6-7-12(17)15(13)19-14(20)11-16(18)9-4-3-5-10-16/h6-8H,2-5,9-11,18H2,1H3
InChIKeyCFBSFAHDUSLKEF-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.40
Rot. Bonds3

About 1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]cyclohexan-1-amine

1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]cyclohexan-1-amine (PubChem CID 64672025) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is 1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]cyclohexan-1-amine
PubChem CID64672025
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC Name1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]cyclohexan-1-amine
SMILESCCn1c(CC2(N)CCCCC2)nc2c(F)cccc21
InChIInChI=1S/C16H22FN3/c1-2-20-13-8-6-7-12(17)15(13)19-14(20)11-16(18)9-4-3-5-10-16/h6-8H,2-5,9-11,18H2,1H3
InChIKeyCFBSFAHDUSLKEF-UHFFFAOYSA-N
XLogP3.40
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]cyclohexan-1-amine (CID 64672025) is 1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]cyclohexan-1-amine is CCn1c(CC2(N)CCCCC2)nc2c(F)cccc21.
What is the InChIKey of 1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]cyclohexan-1-amine?
The InChIKey is CFBSFAHDUSLKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-2-20-13-8-6-7-12(17)15(13)19-14(20)11-16(18)9-4-3-5-10-16/h6-8H,2-5,9-11,18H2,1H3.
What are the key properties of 1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]cyclohexan-1-amine?
1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]cyclohexan-1-amine has a molecular weight of 275.37 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 64672025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).