cis-(1R,3S)-3-(5-fluoro-7-methylbenzimidazol-1-yl)cyclohexan-1-amine

C14H18FN3 — CID 170646156

IUPACcis-(1R,3S)-3-(5-fluoro-7-methylbenzimidazol-1-yl)cyclohexan-1-amine
SMILESCc1cc(F)cc2ncn([C@H]3CCC[C@@H](N)C3)c12
InChIInChI=1S/C14H18FN3/c1-9-5-10(15)6-13-14(9)18(8-17-13)12-4-2-3-11(16)7-12/h5-6,8,11-12H,2-4,7,16H2,1H3/t11-,12+/m1/s1
InChIKeyBLQRUFANHVJBMM-NEPJUHHUSA-N
MW247.32 g/mol
LogP2.93
Rot. Bonds1

About cis-(1R,3S)-3-(5-fluoro-7-methylbenzimidazol-1-yl)cyclohexan-1-amine

cis-(1R,3S)-3-(5-fluoro-7-methylbenzimidazol-1-yl)cyclohexan-1-amine (PubChem CID 170646156) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is cis-(1R,3S)-3-(5-fluoro-7-methylbenzimidazol-1-yl)cyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1R,3S)-3-(5-fluoro-7-methylbenzimidazol-1-yl)cyclohexan-1-amine
PubChem CID170646156
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Namecis-(1R,3S)-3-(5-fluoro-7-methylbenzimidazol-1-yl)cyclohexan-1-amine
SMILESCc1cc(F)cc2ncn([C@H]3CCC[C@@H](N)C3)c12
InChIInChI=1S/C14H18FN3/c1-9-5-10(15)6-13-14(9)18(8-17-13)12-4-2-3-11(16)7-12/h5-6,8,11-12H,2-4,7,16H2,1H3/t11-,12+/m1/s1
InChIKeyBLQRUFANHVJBMM-NEPJUHHUSA-N
XLogP2.93
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-6-fluoro-5-methylbenzimidazole;ethane
CID 162381496
1-cyclopentyl-5,6-dimethylbenzimidazole
CID 115900464
9-(3,5-difluorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62714139
[(1S,3R)-3-[2-(4-fluoro-2-methylphenyl)imidazol-1-yl]cyclohexyl]methanol
CID 155505550
trans-(1R,3R)-3-[2-(4-methylsulfonylphenyl)imidazol-1-yl]cyclohexan-1-amine
CID 154566008
3-(3,4,5-trimethylpyrazol-1-yl)cyclohexan-1-amine
CID 79619290
9-(3-fluoro-4-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713246
3-(3,5-difluorophenyl)cyclohexan-1-amine
CID 64503888
3-(11-methyl-1,4,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-4-yl)cyclohexan-1-amine;1,2,4-trifluorobenzene
CID 143674559
3-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexan-1-amine
CID 79465987
1-cyclopropyl-6-fluorobenzimidazol-5-amine
CID 83829700
3-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 81273281

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-(5-fluoro-7-methylbenzimidazol-1-yl)cyclohexan-1-amine?
The IUPAC name of cis-(1R,3S)-3-(5-fluoro-7-methylbenzimidazol-1-yl)cyclohexan-1-amine (CID 170646156) is cis-(1R,3S)-3-(5-fluoro-7-methylbenzimidazol-1-yl)cyclohexan-1-amine.
What is the SMILES notation for cis-(1R,3S)-3-(5-fluoro-7-methylbenzimidazol-1-yl)cyclohexan-1-amine?
The canonical SMILES for cis-(1R,3S)-3-(5-fluoro-7-methylbenzimidazol-1-yl)cyclohexan-1-amine is Cc1cc(F)cc2ncn([C@H]3CCC[C@@H](N)C3)c12.
What is the InChIKey of cis-(1R,3S)-3-(5-fluoro-7-methylbenzimidazol-1-yl)cyclohexan-1-amine?
The InChIKey is BLQRUFANHVJBMM-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H18FN3/c1-9-5-10(15)6-13-14(9)18(8-17-13)12-4-2-3-11(16)7-12/h5-6,8,11-12H,2-4,7,16H2,1H3/t11-,12+/m1/s1.
What are the key properties of cis-(1R,3S)-3-(5-fluoro-7-methylbenzimidazol-1-yl)cyclohexan-1-amine?
cis-(1R,3S)-3-(5-fluoro-7-methylbenzimidazol-1-yl)cyclohexan-1-amine has a molecular weight of 247.32 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-(5-fluoro-7-methylbenzimidazol-1-yl)cyclohexan-1-amine is sourced from PubChem (CID 170646156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).