cis-(1R,2S)-2-[[2-methyl-7-(trifluoromethyl)-3H-benzimidazol-5-yl]methylamino]cyclopentan-1-ol

C15H18F3N3O — CID 166557412

IUPACcis-(1R,2S)-2-[[2-methyl-7-(trifluoromethyl)-3H-benzimidazol-5-yl]methylamino]cyclopentan-1-ol
SMILESCc1nc2c(C(F)(F)F)cc(CN[C@H]3CCC[C@H]3O)cc2[nH]1
InChIInChI=1S/C15H18F3N3O/c1-8-20-12-6-9(7-19-11-3-2-4-13(11)22)5-10(14(12)21-8)15(16,17)18/h5-6,11,13,19,22H,2-4,7H2,1H3,(H,20,21)/t11-,13+/m0/s1
InChIKeyWBRTXZMNYIPSMO-WCQYABFASA-N
MW313.32 g/mol
LogP2.89
Rot. Bonds3

About cis-(1R,2S)-2-[[2-methyl-7-(trifluoromethyl)-3H-benzimidazol-5-yl]methylamino]cyclopentan-1-ol

cis-(1R,2S)-2-[[2-methyl-7-(trifluoromethyl)-3H-benzimidazol-5-yl]methylamino]cyclopentan-1-ol (PubChem CID 166557412) has the molecular formula C15H18F3N3O and a molecular weight of 313.32 g/mol. Its IUPAC name is cis-(1R,2S)-2-[[2-methyl-7-(trifluoromethyl)-3H-benzimidazol-5-yl]methylamino]cyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1R,2S)-2-[[2-methyl-7-(trifluoromethyl)-3H-benzimidazol-5-yl]methylamino]cyclopentan-1-ol
PubChem CID166557412
Molecular FormulaC15H18F3N3O
Molecular Weight313.32 g/mol
Exact Mass313.14
IUPAC Namecis-(1R,2S)-2-[[2-methyl-7-(trifluoromethyl)-3H-benzimidazol-5-yl]methylamino]cyclopentan-1-ol
SMILESCc1nc2c(C(F)(F)F)cc(CN[C@H]3CCC[C@H]3O)cc2[nH]1
InChIInChI=1S/C15H18F3N3O/c1-8-20-12-6-9(7-19-11-3-2-4-13(11)22)5-10(14(12)21-8)15(16,17)18/h5-6,11,13,19,22H,2-4,7H2,1H3,(H,20,21)/t11-,13+/m0/s1
InChIKeyWBRTXZMNYIPSMO-WCQYABFASA-N
XLogP2.89
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze cis-(1R,2S)-2-[[2-methyl-7-(trifluoromethyl)-3H-benzimidazol-5-yl]methylamino]cyclopentan-1-ol with MolForge

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Related Compounds

2-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methylamino]cyclopentan-1-ol
CID 166557585
6-[[[(2R)-2-hydroxycyclopentyl]amino]methyl]-4-(trifluoromethyl)-2,3-dihydroisoindol-1-one
CID 165410858
trans-(1S,2S)-2-[[4-amino-3-nitro-5-(trifluoromethyl)phenyl]methylamino]cyclopentan-1-ol
CID 166556250
2-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methylamino]cyclohexan-1-ol
CID 166557173
trans-(1S,2S)-2-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methylamino]cyclohexan-1-ol
CID 166556290
4-[[(2-hydroxycyclohexyl)amino]methyl]-2,6-dimethylphenol
CID 62365273
2-(1H-indol-5-ylmethylamino)cycloheptan-1-ol
CID 102911793
trans-(1R,2R)-2-[(3-methylphenyl)methylamino]cyclopentan-1-ol
CID 93382274
2-[(5-methyl-3-pyridinyl)methylamino]cyclohexan-1-ol
CID 102880835
(1R)-2-[tert-butyl(dimethyl)silyl]oxy-N-[[2-[3-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]phenyl]-7-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]cyclopentan-1-amine
CID 174031201
2-[(4-methylphenyl)methylamino]cyclohexan-1-ol
CID 60714627
cis-(1S,2R)-2-[(7-fluoro-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol
CID 166557590

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[[2-methyl-7-(trifluoromethyl)-3H-benzimidazol-5-yl]methylamino]cyclopentan-1-ol?
The IUPAC name of cis-(1R,2S)-2-[[2-methyl-7-(trifluoromethyl)-3H-benzimidazol-5-yl]methylamino]cyclopentan-1-ol (CID 166557412) is cis-(1R,2S)-2-[[2-methyl-7-(trifluoromethyl)-3H-benzimidazol-5-yl]methylamino]cyclopentan-1-ol.
What is the SMILES notation for cis-(1R,2S)-2-[[2-methyl-7-(trifluoromethyl)-3H-benzimidazol-5-yl]methylamino]cyclopentan-1-ol?
The canonical SMILES for cis-(1R,2S)-2-[[2-methyl-7-(trifluoromethyl)-3H-benzimidazol-5-yl]methylamino]cyclopentan-1-ol is Cc1nc2c(C(F)(F)F)cc(CN[C@H]3CCC[C@H]3O)cc2[nH]1.
What is the InChIKey of cis-(1R,2S)-2-[[2-methyl-7-(trifluoromethyl)-3H-benzimidazol-5-yl]methylamino]cyclopentan-1-ol?
The InChIKey is WBRTXZMNYIPSMO-WCQYABFASA-N. The full InChI is InChI=1S/C15H18F3N3O/c1-8-20-12-6-9(7-19-11-3-2-4-13(11)22)5-10(14(12)21-8)15(16,17)18/h5-6,11,13,19,22H,2-4,7H2,1H3,(H,20,21)/t11-,13+/m0/s1.
What are the key properties of cis-(1R,2S)-2-[[2-methyl-7-(trifluoromethyl)-3H-benzimidazol-5-yl]methylamino]cyclopentan-1-ol?
cis-(1R,2S)-2-[[2-methyl-7-(trifluoromethyl)-3H-benzimidazol-5-yl]methylamino]cyclopentan-1-ol has a molecular weight of 313.32 g/mol, XLogP of 2.89, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[[2-methyl-7-(trifluoromethyl)-3H-benzimidazol-5-yl]methylamino]cyclopentan-1-ol is sourced from PubChem (CID 166557412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).