5-chloro-2-[[2-(3-methylimidazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]-1,4-dihydropyrimidine

C13H12ClF3N6 — CID 174301361

IUPAC5-chloro-2-[[2-(3-methylimidazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]-1,4-dihydropyrimidine
SMILESCn1cncc1-c1nc(C(F)(F)F)cn1CC1=NCC(Cl)=CN1
InChIInChI=1S/C13H12ClF3N6/c1-22-7-18-4-9(22)12-21-10(13(15,16)17)5-23(12)6-11-19-2-8(14)3-20-11/h2,4-5,7H,3,6H2,1H3,(H,19,20)
InChIKeyHLHDNKPGRRVSFR-UHFFFAOYSA-N
MW344.73 g/mol
LogP2.38
Rot. Bonds3

About 5-chloro-2-[[2-(3-methylimidazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]-1,4-dihydropyrimidine

5-chloro-2-[[2-(3-methylimidazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]-1,4-dihydropyrimidine (PubChem CID 174301361) has the molecular formula C13H12ClF3N6 and a molecular weight of 344.73 g/mol. Its IUPAC name is 5-chloro-2-[[2-(3-methylimidazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]-1,4-dihydropyrimidine.

Molecular Properties

Compound Name5-chloro-2-[[2-(3-methylimidazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]-1,4-dihydropyrimidine
PubChem CID174301361
Molecular FormulaC13H12ClF3N6
Molecular Weight344.73 g/mol
Exact Mass344.08
IUPAC Name5-chloro-2-[[2-(3-methylimidazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]-1,4-dihydropyrimidine
SMILESCn1cncc1-c1nc(C(F)(F)F)cn1CC1=NCC(Cl)=CN1
InChIInChI=1S/C13H12ClF3N6/c1-22-7-18-4-9(22)12-21-10(13(15,16)17)5-23(12)6-11-19-2-8(14)3-20-11/h2,4-5,7H,3,6H2,1H3,(H,19,20)
InChIKeyHLHDNKPGRRVSFR-UHFFFAOYSA-N
XLogP2.38
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.73
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-chloro-2-[[2-(3-methylimidazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]-1,4-dihydropyrimidine with MolForge

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Related Compounds

MAT-POS-ea426761-49
CID 56864220
2-(4-1H-imidazolyl)-4-trifluoromethyl-1H-imidazole
CID 10488302
(2,2-Difluoroethyl)[(1-methyl-1H-imidazol-5-YL)methyl]amine
CID 115405646
5'-methyl-1-(2,2,2-trifluoroethyl)-1H,3'H-2,4'-biimidazole
CID 56916971
2-Chloro-5-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]pyrazine
CID 71319131
N-methyl-1-[1-methyl-2-(trifluoromethyl)imidazol-4-yl]methanamine
CID 84014508
N-methyl-1-[1-propan-2-yl-2-(trifluoromethyl)imidazol-4-yl]methanamine
CID 84016522
(6R)-3-(difluoromethyl)-6-methyl-5,6-dihydroimidazo[1,5-a]pyrazin-8-amine
CID 141421711
6-bromo-1-[(3-methylimidazol-4-yl)methyl]-5-(trifluoromethyl)-2H-pyrazin-3-amine
CID 149689074
6-bromo-1-[(1-methylimidazol-4-yl)methyl]-5-(trifluoromethyl)-2H-pyrazin-3-amine
CID 155389406
5-Chloro-2-[[2-methyl-4-(trifluoromethyl)imidazol-1-yl]methyl]-1,4-dihydropyrimidine;ethane
CID 168228983
5-Chloro-2-[[4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
CID 168228991

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[2-(3-methylimidazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]-1,4-dihydropyrimidine?
The IUPAC name of 5-chloro-2-[[2-(3-methylimidazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]-1,4-dihydropyrimidine (CID 174301361) is 5-chloro-2-[[2-(3-methylimidazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]-1,4-dihydropyrimidine.
What is the SMILES notation for 5-chloro-2-[[2-(3-methylimidazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]-1,4-dihydropyrimidine?
The canonical SMILES for 5-chloro-2-[[2-(3-methylimidazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]-1,4-dihydropyrimidine is Cn1cncc1-c1nc(C(F)(F)F)cn1CC1=NCC(Cl)=CN1.
What is the InChIKey of 5-chloro-2-[[2-(3-methylimidazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]-1,4-dihydropyrimidine?
The InChIKey is HLHDNKPGRRVSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF3N6/c1-22-7-18-4-9(22)12-21-10(13(15,16)17)5-23(12)6-11-19-2-8(14)3-20-11/h2,4-5,7H,3,6H2,1H3,(H,19,20).
What are the key properties of 5-chloro-2-[[2-(3-methylimidazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]-1,4-dihydropyrimidine?
5-chloro-2-[[2-(3-methylimidazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]-1,4-dihydropyrimidine has a molecular weight of 344.73 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[2-(3-methylimidazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]-1,4-dihydropyrimidine is sourced from PubChem (CID 174301361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).