1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol

C18H17ClFN3O — CID 71649802

IUPAC1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol
SMILESOC1CCN(c2nc3ccccc3n2Cc2c(F)cccc2Cl)C1
InChIInChI=1S/C18H17ClFN3O/c19-14-4-3-5-15(20)13(14)11-23-17-7-2-1-6-16(17)21-18(23)22-9-8-12(24)10-22/h1-7,12,24H,8-11H2
InChIKeyNGLUADFXNRLKGZ-UHFFFAOYSA-N
MW345.81 g/mol
LogP3.45
Rot. Bonds3

About 1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol

1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol (PubChem CID 71649802) has the molecular formula C18H17ClFN3O and a molecular weight of 345.81 g/mol. Its IUPAC name is 1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol
PubChem CID71649802
Molecular FormulaC18H17ClFN3O
Molecular Weight345.81 g/mol
Exact Mass345.10
IUPAC Name1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol
SMILESOC1CCN(c2nc3ccccc3n2Cc2c(F)cccc2Cl)C1
InChIInChI=1S/C18H17ClFN3O/c19-14-4-3-5-15(20)13(14)11-23-17-7-2-1-6-16(17)21-18(23)22-9-8-12(24)10-22/h1-7,12,24H,8-11H2
InChIKeyNGLUADFXNRLKGZ-UHFFFAOYSA-N
XLogP3.45
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.81
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol
CID 71649801
ethyl 1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxylate
CID 73292195
(3S)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-3-ol
CID 97114323
1-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol
CID 71648335
[1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]piperidin-3-yl]methanol
CID 71649983
(3R)-1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]piperidin-3-ol
CID 97169373
tert-butyl N-[[(3S)-1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-3-yl]methyl]carbamate
CID 97174391
1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]piperidin-4-ol
CID 71649830
1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol
CID 71634624
1-[(2-chloro-6-fluorophenyl)methyl]benzimidazole-2-carbaldehyde
CID 53262926
1-[1-[(4-chloro-3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-3-amine
CID 155142908
1-[(2-chloro-6-fluorophenyl)methyl]-2-(2-fluorophenyl)benzimidazole
CID 19243364

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol (CID 71649802) is 1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol is OC1CCN(c2nc3ccccc3n2Cc2c(F)cccc2Cl)C1.
What is the InChIKey of 1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol?
The InChIKey is NGLUADFXNRLKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN3O/c19-14-4-3-5-15(20)13(14)11-23-17-7-2-1-6-16(17)21-18(23)22-9-8-12(24)10-22/h1-7,12,24H,8-11H2.
What are the key properties of 1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol?
1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol has a molecular weight of 345.81 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol is sourced from PubChem (CID 71649802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).