[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methanone

C20H18F3N3O2 — CID 92614119

IUPAC[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methanone
SMILESCOc1cccc([C@H]2CCCN2C(=O)c2ccc3nc(C(F)(F)F)[nH]c3c2)c1
InChIInChI=1S/C20H18F3N3O2/c1-28-14-5-2-4-12(10-14)17-6-3-9-26(17)18(27)13-7-8-15-16(11-13)25-19(24-15)20(21,22)23/h2,4-5,7-8,10-11,17H,3,6,9H2,1H3,(H,24,25)/t17-/m1/s1
InChIKeyMDOHIZUKKPKBOH-QGZVFWFLSA-N
MW389.38 g/mol
LogP4.57
Rot. Bonds3

About [(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methanone

[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methanone (PubChem CID 92614119) has the molecular formula C20H18F3N3O2 and a molecular weight of 389.38 g/mol. Its IUPAC name is [(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methanone.

Molecular Properties

Compound Name[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methanone
PubChem CID92614119
Molecular FormulaC20H18F3N3O2
Molecular Weight389.38 g/mol
Exact Mass389.14
IUPAC Name[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methanone
SMILESCOc1cccc([C@H]2CCCN2C(=O)c2ccc3nc(C(F)(F)F)[nH]c3c2)c1
InChIInChI=1S/C20H18F3N3O2/c1-28-14-5-2-4-12(10-14)17-6-3-9-26(17)18(27)13-7-8-15-16(11-13)25-19(24-15)20(21,22)23/h2,4-5,7-8,10-11,17H,3,6,9H2,1H3,(H,24,25)/t17-/m1/s1
InChIKeyMDOHIZUKKPKBOH-QGZVFWFLSA-N
XLogP4.57
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-2-methylpiperidin-1-yl]-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methanone
CID 95741065
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 42934876
methyl 4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]benzoate
CID 51318465
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 46700033
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
1H-benzimidazol-2-yl-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methanone
CID 126451843
1H-benzimidazol-2-yl-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]methanone
CID 126451844
4-[2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzoic acid
CID 125120944
(6-fluoro-2-methylquinolin-3-yl)-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 92627940
[3-ethyl-4-(1H-pyrazol-4-yl)phenyl]-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 145021807
3-[(2R)-1-[3-methoxy-4-(1H-pyrazol-4-yl)benzoyl]pyrrolidin-2-yl]benzoic acid
CID 118879009
tert-butyl 2-(3-methoxyphenyl)pyrrolidine-1-carboxylate
CID 15189984

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methanone?
The IUPAC name of [(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methanone (CID 92614119) is [(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methanone.
What is the SMILES notation for [(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methanone?
The canonical SMILES for [(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methanone is COc1cccc([C@H]2CCCN2C(=O)c2ccc3nc(C(F)(F)F)[nH]c3c2)c1.
What is the InChIKey of [(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methanone?
The InChIKey is MDOHIZUKKPKBOH-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H18F3N3O2/c1-28-14-5-2-4-12(10-14)17-6-3-9-26(17)18(27)13-7-8-15-16(11-13)25-19(24-15)20(21,22)23/h2,4-5,7-8,10-11,17H,3,6,9H2,1H3,(H,24,25)/t17-/m1/s1.
What are the key properties of [(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methanone?
[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methanone has a molecular weight of 389.38 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methanone is sourced from PubChem (CID 92614119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).