(3S)-1-[[2-methyl-7-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]pyrrolidin-3-ol

C14H16F3N3O — CID 166556294

IUPAC(3S)-1-[[2-methyl-7-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]pyrrolidin-3-ol
SMILESCc1nc2c(C(F)(F)F)cc(CN3CC[C@H](O)C3)cc2[nH]1
InChIInChI=1S/C14H16F3N3O/c1-8-18-12-5-9(6-20-3-2-10(21)7-20)4-11(13(12)19-8)14(15,16)17/h4-5,10,21H,2-3,6-7H2,1H3,(H,18,19)/t10-/m0/s1
InChIKeyNCVPOZKWOHDQOI-JTQLQIEISA-N
MW299.30 g/mol
LogP2.46
Rot. Bonds2

About (3S)-1-[[2-methyl-7-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]pyrrolidin-3-ol

(3S)-1-[[2-methyl-7-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]pyrrolidin-3-ol (PubChem CID 166556294) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is (3S)-1-[[2-methyl-7-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[[2-methyl-7-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]pyrrolidin-3-ol
PubChem CID166556294
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC Name(3S)-1-[[2-methyl-7-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]pyrrolidin-3-ol
SMILESCc1nc2c(C(F)(F)F)cc(CN3CC[C@H](O)C3)cc2[nH]1
InChIInChI=1S/C14H16F3N3O/c1-8-18-12-5-9(6-20-3-2-10(21)7-20)4-11(13(12)19-8)14(15,16)17/h4-5,10,21H,2-3,6-7H2,1H3,(H,18,19)/t10-/m0/s1
InChIKeyNCVPOZKWOHDQOI-JTQLQIEISA-N
XLogP2.46
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[4-[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]phenyl]-2-methyl-1H-benzimidazole-4-carboxylic acid;2,2,2-trifluoroacetic acid
CID 170172759
(3S)-1-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-3-ol
CID 103883025
4-[(3-methoxypyrrolidin-1-yl)methyl]-2-(trifluoromethyl)phenol
CID 103542210
(3R)-1-[[2-[4-(2-methyl-3H-benzimidazol-5-yl)phenyl]phenyl]methyl]pyrrolidin-3-ol
CID 175938025
(3S)-1-[(3-bromo-5-fluorophenyl)methyl]pyrrolidin-3-ol
CID 79673830
1-[(3-amino-5-fluorophenyl)methyl]pyrrolidin-3-ol
CID 112646139
1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-ol
CID 62917538
(3R)-1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyrrolidin-3-ol
CID 112734197
2-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-4-(trifluoromethyl)-1H-benzimidazole
CID 166557504
(3R)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol
CID 63365329
(3R)-1-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]pyrrolidin-3-ol
CID 70761607
(3S)-1-(quinolin-6-ylmethyl)pyrrolidin-3-ol
CID 79031483

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[[2-methyl-7-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]pyrrolidin-3-ol?
The IUPAC name of (3S)-1-[[2-methyl-7-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]pyrrolidin-3-ol (CID 166556294) is (3S)-1-[[2-methyl-7-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-[[2-methyl-7-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-[[2-methyl-7-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]pyrrolidin-3-ol is Cc1nc2c(C(F)(F)F)cc(CN3CC[C@H](O)C3)cc2[nH]1.
What is the InChIKey of (3S)-1-[[2-methyl-7-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]pyrrolidin-3-ol?
The InChIKey is NCVPOZKWOHDQOI-JTQLQIEISA-N. The full InChI is InChI=1S/C14H16F3N3O/c1-8-18-12-5-9(6-20-3-2-10(21)7-20)4-11(13(12)19-8)14(15,16)17/h4-5,10,21H,2-3,6-7H2,1H3,(H,18,19)/t10-/m0/s1.
What are the key properties of (3S)-1-[[2-methyl-7-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]pyrrolidin-3-ol?
(3S)-1-[[2-methyl-7-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]pyrrolidin-3-ol has a molecular weight of 299.30 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[[2-methyl-7-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 166556294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).