1-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one

C21H15ClF3N3O — CID 38846521

IUPAC1-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)cn1Cc1nc2cc(Cl)ccc2n1Cc1ccccc1
InChIInChI=1S/C21H15ClF3N3O/c22-16-7-8-18-17(10-16)26-19(28(18)11-14-4-2-1-3-5-14)13-27-12-15(21(23,24)25)6-9-20(27)29/h1-10,12H,11,13H2
InChIKeyNJFQSYILSHTWGL-UHFFFAOYSA-N
MW417.82 g/mol
LogP4.97
Rot. Bonds4

About 1-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one

1-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 38846521) has the molecular formula C21H15ClF3N3O and a molecular weight of 417.82 g/mol. Its IUPAC name is 1-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID38846521
Molecular FormulaC21H15ClF3N3O
Molecular Weight417.82 g/mol
Exact Mass417.09
IUPAC Name1-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)cn1Cc1nc2cc(Cl)ccc2n1Cc1ccccc1
InChIInChI=1S/C21H15ClF3N3O/c22-16-7-8-18-17(10-16)26-19(28(18)11-14-4-2-1-3-5-14)13-27-12-15(21(23,24)25)6-9-20(27)29/h1-10,12H,11,13H2
InChIKeyNJFQSYILSHTWGL-UHFFFAOYSA-N
XLogP4.97
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.82
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-dibenzyl-5-(trifluoromethyl)benzimidazole
CID 46310965
1-benzyl-6-chloro-3-(2,2,2-trifluoroethyl)quinoxalin-2-one
CID 134851273
3-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]-1-ethyl-2,4-dioxopyrimidine-5-carbonitrile
CID 25347872
N,N-dimethyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1-propylbenzimidazole-5-sulfonamide
CID 38846412
1-butyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzimidazole-5-sulfonamide
CID 38846414
1-benzyl-2-methyl-5-(trifluoromethyl)benzimidazole
CID 757530
(3R)-1-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]piperidin-3-ol
CID 95378823
1-benzyl-2-[[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]benzimidazole
CID 139721542
1-benzyl-2-[(3,5-dimethylphenoxy)methyl]-5-(trifluoromethyl)benzimidazole
CID 4848547
4-[4-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]piperazin-1-yl]phenol
CID 30238912
2-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile
CID 25348164
7-chloro-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 51293693

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one (CID 38846521) is 1-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one is O=c1ccc(C(F)(F)F)cn1Cc1nc2cc(Cl)ccc2n1Cc1ccccc1.
What is the InChIKey of 1-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is NJFQSYILSHTWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF3N3O/c22-16-7-8-18-17(10-16)26-19(28(18)11-14-4-2-1-3-5-14)13-27-12-15(21(23,24)25)6-9-20(27)29/h1-10,12H,11,13H2.
What are the key properties of 1-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one?
1-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 417.82 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 38846521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).