[2-chloro-3-(trifluoromethyl)phenyl]-(1-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone

C20H15ClF3N3O — CID 86271659

IUPAC[2-chloro-3-(trifluoromethyl)phenyl]-(1-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
SMILESO=C(c1cccc(C(F)(F)F)c1Cl)N1CCc2c(ncn2-c2ccccc2)C1
InChIInChI=1S/C20H15ClF3N3O/c21-18-14(7-4-8-15(18)20(22,23)24)19(28)26-10-9-17-16(11-26)25-12-27(17)13-5-2-1-3-6-13/h1-8,12H,9-11H2
InChIKeyCVNKYCMMEPEVGH-UHFFFAOYSA-N
MW405.81 g/mol
LogP4.74
Rot. Bonds2

About [2-chloro-3-(trifluoromethyl)phenyl]-(1-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone

[2-chloro-3-(trifluoromethyl)phenyl]-(1-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone (PubChem CID 86271659) has the molecular formula C20H15ClF3N3O and a molecular weight of 405.81 g/mol. Its IUPAC name is [2-chloro-3-(trifluoromethyl)phenyl]-(1-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[2-chloro-3-(trifluoromethyl)phenyl]-(1-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
PubChem CID86271659
Molecular FormulaC20H15ClF3N3O
Molecular Weight405.81 g/mol
Exact Mass405.09
IUPAC Name[2-chloro-3-(trifluoromethyl)phenyl]-(1-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
SMILESO=C(c1cccc(C(F)(F)F)c1Cl)N1CCc2c(ncn2-c2ccccc2)C1
InChIInChI=1S/C20H15ClF3N3O/c21-18-14(7-4-8-15(18)20(22,23)24)19(28)26-10-9-17-16(11-26)25-12-27(17)13-5-2-1-3-6-13/h1-8,12H,9-11H2
InChIKeyCVNKYCMMEPEVGH-UHFFFAOYSA-N
XLogP4.74
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.81
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Jnj-54175446
CID 90409366
(3-fluorophenyl)-[3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone
CID 10596362
(2-fluorophenyl)-[3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone
CID 10643918
(4-fluorophenyl)-[3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone
CID 10762789
[2-chloro-3-(trifluoromethyl)phenyl]-(3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 66598994
[2-chloro-3-(trifluoromethyl)phenyl]-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 66599277
[2-chloro-3-(trifluoromethyl)phenyl]-[(4R)-4-methyl-1-pyrazin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
CID 85470872
(R)-(2-Chloro-3-(trifluoromethyl)phenyl)(1-(5-fluoropyridin-2-yl)-4-methyl-1,4,6,7-tetrahydro-5h-imidazo[4,5-c]pyridin-5-yl)methanone
CID 86270720
[2-chloro-3-(trifluoromethyl)phenyl]-[(4R)-4-methyl-1-pyridin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
CID 86271008
[2-chloro-3-(trifluoromethyl)phenyl]-[(4R)-1-(4-fluorophenyl)-4-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
CID 86271009
[2-chloro-3-(trifluoromethyl)phenyl]-[(4R)-4-methyl-1-pyrimidin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
CID 86271108
(2-Chloro-3-(trifluoromethyl)phenyl)(1-(pyridin-2-yl)-6,7-dihydro-1H-imidazo[4,5-c]pyridin-5 (4H)-yl)methanone
CID 86271658

Frequently Asked Questions

What is the IUPAC name of [2-chloro-3-(trifluoromethyl)phenyl]-(1-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of [2-chloro-3-(trifluoromethyl)phenyl]-(1-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone (CID 86271659) is [2-chloro-3-(trifluoromethyl)phenyl]-(1-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for [2-chloro-3-(trifluoromethyl)phenyl]-(1-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for [2-chloro-3-(trifluoromethyl)phenyl]-(1-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone is O=C(c1cccc(C(F)(F)F)c1Cl)N1CCc2c(ncn2-c2ccccc2)C1.
What is the InChIKey of [2-chloro-3-(trifluoromethyl)phenyl]-(1-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is CVNKYCMMEPEVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF3N3O/c21-18-14(7-4-8-15(18)20(22,23)24)19(28)26-10-9-17-16(11-26)25-12-27(17)13-5-2-1-3-6-13/h1-8,12H,9-11H2.
What are the key properties of [2-chloro-3-(trifluoromethyl)phenyl]-(1-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone?
[2-chloro-3-(trifluoromethyl)phenyl]-(1-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 405.81 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-3-(trifluoromethyl)phenyl]-(1-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 86271659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).