1-[(1-ethyl-6-fluorobenzimidazol-2-yl)methyl]cyclohexan-1-amine

C16H22FN3 — CID 64672416

IUPAC1-[(1-ethyl-6-fluorobenzimidazol-2-yl)methyl]cyclohexan-1-amine
SMILESCCn1c(CC2(N)CCCCC2)nc2ccc(F)cc21
InChIInChI=1S/C16H22FN3/c1-2-20-14-10-12(17)6-7-13(14)19-15(20)11-16(18)8-4-3-5-9-16/h6-7,10H,2-5,8-9,11,18H2,1H3
InChIKeyGKMYTDZJAMVSRQ-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.40
Rot. Bonds3

About 1-[(1-ethyl-6-fluorobenzimidazol-2-yl)methyl]cyclohexan-1-amine

1-[(1-ethyl-6-fluorobenzimidazol-2-yl)methyl]cyclohexan-1-amine (PubChem CID 64672416) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is 1-[(1-ethyl-6-fluorobenzimidazol-2-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[(1-ethyl-6-fluorobenzimidazol-2-yl)methyl]cyclohexan-1-amine
PubChem CID64672416
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC Name1-[(1-ethyl-6-fluorobenzimidazol-2-yl)methyl]cyclohexan-1-amine
SMILESCCn1c(CC2(N)CCCCC2)nc2ccc(F)cc21
InChIInChI=1S/C16H22FN3/c1-2-20-14-10-12(17)6-7-13(14)19-15(20)11-16(18)8-4-3-5-9-16/h6-7,10H,2-5,8-9,11,18H2,1H3
InChIKeyGKMYTDZJAMVSRQ-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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Related Compounds

1-(1-ethyl-6-fluorobenzimidazol-2-yl)cycloheptan-1-amine
CID 62377574
1-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]cyclobutan-1-amine
CID 115472770
1-(6-fluoro-1-propylbenzimidazol-2-yl)cycloheptan-1-amine
CID 62378122
1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]cyclohexan-1-amine
CID 64672025
2-(2-chloroethyl)-1-ethyl-6-fluorobenzimidazole
CID 62377536
ethyl 2-(1-ethyl-6-fluorobenzimidazol-2-yl)acetate
CID 79474955
1-(1-ethyl-5-fluorobenzimidazol-2-yl)cyclopentan-1-amine
CID 61291958
N-[(1-ethyl-6-fluorobenzimidazol-2-yl)methyl]cyclopentanamine
CID 55068076
1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]cyclobutan-1-amine
CID 79846796
3-(1-ethyl-6-fluorobenzimidazol-2-yl)-2-methoxypropan-1-amine
CID 103153985
1-ethyl-6-fluoro-2-(piperidin-3-ylmethyl)benzimidazole
CID 62689623
cyclohexyl-(1-ethyl-6-fluorobenzimidazol-2-yl)methanamine
CID 62377258

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethyl-6-fluorobenzimidazol-2-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 1-[(1-ethyl-6-fluorobenzimidazol-2-yl)methyl]cyclohexan-1-amine (CID 64672416) is 1-[(1-ethyl-6-fluorobenzimidazol-2-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[(1-ethyl-6-fluorobenzimidazol-2-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 1-[(1-ethyl-6-fluorobenzimidazol-2-yl)methyl]cyclohexan-1-amine is CCn1c(CC2(N)CCCCC2)nc2ccc(F)cc21.
What is the InChIKey of 1-[(1-ethyl-6-fluorobenzimidazol-2-yl)methyl]cyclohexan-1-amine?
The InChIKey is GKMYTDZJAMVSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-2-20-14-10-12(17)6-7-13(14)19-15(20)11-16(18)8-4-3-5-9-16/h6-7,10H,2-5,8-9,11,18H2,1H3.
What are the key properties of 1-[(1-ethyl-6-fluorobenzimidazol-2-yl)methyl]cyclohexan-1-amine?
1-[(1-ethyl-6-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-6-fluorobenzimidazol-2-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 64672416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).