[1-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclohexyl]methanamine

C16H22FN3 — CID 115436238

IUPAC[1-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclohexyl]methanamine
SMILESCCn1c(C2(CN)CCCCC2)nc2c(F)cccc21
InChIInChI=1S/C16H22FN3/c1-2-20-13-8-6-7-12(17)14(13)19-15(20)16(11-18)9-4-3-5-10-16/h6-8H,2-5,9-11,18H2,1H3
InChIKeyGFYZNLVWCAMKBG-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.36
Rot. Bonds3

About [1-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclohexyl]methanamine

[1-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclohexyl]methanamine (PubChem CID 115436238) 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)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclohexyl]methanamine
PubChem CID115436238
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC Name[1-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclohexyl]methanamine
SMILESCCn1c(C2(CN)CCCCC2)nc2c(F)cccc21
InChIInChI=1S/C16H22FN3/c1-2-20-13-8-6-7-12(17)14(13)19-15(20)16(11-18)9-4-3-5-10-16/h6-8H,2-5,9-11,18H2,1H3
InChIKeyGFYZNLVWCAMKBG-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-fluoro-1-methylbenzimidazol-2-yl)cyclopentyl]methanamine
CID 113309172
1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]cyclohexan-1-amine
CID 64672025
3-(1-ethyl-4-fluorobenzimidazol-2-yl)oxolan-3-amine
CID 64888050
ethyl 1-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclopropane-1-carboxylate
CID 79471310
1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]cyclobutan-1-amine
CID 79846796
methyl 1-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclopropane-1-carboxylate
CID 79733660
1-(4-fluoro-1-methylbenzimidazol-2-yl)cyclohexan-1-amine
CID 61291205
[1-(7-chloro-1-ethylbenzimidazol-2-yl)cycloheptyl]methanamine
CID 115443673
[1-(1-ethylimidazo[4,5-c]pyridin-2-yl)cyclopentyl]methanamine
CID 115433491
[1-(1-propylbenzimidazol-2-yl)cyclohexyl]methanamine
CID 115436209
1-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclohexan-1-amine
CID 64672217
4-fluoro-1-propyl-2-(3-propylpyrrolidin-3-yl)benzimidazole
CID 63144070

Frequently Asked Questions

What is the IUPAC name of [1-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclohexyl]methanamine?
The IUPAC name of [1-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclohexyl]methanamine (CID 115436238) is [1-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclohexyl]methanamine?
The canonical SMILES for [1-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclohexyl]methanamine is CCn1c(C2(CN)CCCCC2)nc2c(F)cccc21.
What is the InChIKey of [1-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclohexyl]methanamine?
The InChIKey is GFYZNLVWCAMKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-2-20-13-8-6-7-12(17)14(13)19-15(20)16(11-18)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)cyclohexyl]methanamine?
[1-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclohexyl]methanamine has a molecular weight of 275.37 g/mol, XLogP of 3.36, 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)cyclohexyl]methanamine is sourced from PubChem (CID 115436238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).