4-chloro-6-propyl-2-[4-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]pyrimidine

C17H14ClF3N4O — CID 22170026

IUPAC4-chloro-6-propyl-2-[4-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]pyrimidine
SMILESCCCc1cc(Cl)nc(-n2cnc(-c3cccc(OC(F)(F)F)c3)c2)n1
InChIInChI=1S/C17H14ClF3N4O/c1-2-4-12-8-15(18)24-16(23-12)25-9-14(22-10-25)11-5-3-6-13(7-11)26-17(19,20)21/h3,5-10H,2,4H2,1H3
InChIKeyBCQVNVOLRDVQTJ-UHFFFAOYSA-N
MW382.77 g/mol
LogP4.83
Rot. Bonds5

About 4-chloro-6-propyl-2-[4-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]pyrimidine

4-chloro-6-propyl-2-[4-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]pyrimidine (PubChem CID 22170026) has the molecular formula C17H14ClF3N4O and a molecular weight of 382.77 g/mol. Its IUPAC name is 4-chloro-6-propyl-2-[4-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-propyl-2-[4-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]pyrimidine
PubChem CID22170026
Molecular FormulaC17H14ClF3N4O
Molecular Weight382.77 g/mol
Exact Mass382.08
IUPAC Name4-chloro-6-propyl-2-[4-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]pyrimidine
SMILESCCCc1cc(Cl)nc(-n2cnc(-c3cccc(OC(F)(F)F)c3)c2)n1
InChIInChI=1S/C17H14ClF3N4O/c1-2-4-12-8-15(18)24-16(23-12)25-9-14(22-10-25)11-5-3-6-13(7-11)26-17(19,20)21/h3,5-10H,2,4H2,1H3
InChIKeyBCQVNVOLRDVQTJ-UHFFFAOYSA-N
XLogP4.83
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.77
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-chloro-6-[3-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid
CID 119017945
2-[2-chloro-5-(trifluoromethoxy)phenyl]-6-propylpyridine
CID 144912474
5-ethyl-4-[3-(trifluoromethoxy)phenoxy]-2-[4-(trifluoromethyl)imidazol-1-yl]pyrimidine
CID 21267747
[6-chloro-2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol
CID 134630815
[6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol
CID 24729919
7-chloro-2-(3-methoxyphenyl)-5-propylpyrazolo[1,5-a]pyrimidine
CID 82269959
N-methyl-1-[6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanamine
CID 175646893
3-iodo-6-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine
CID 164888690
4-methyl-2-[[2-[4-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]-6-(3-trimethylsilylpropyl)pyrimidin-4-yl]amino]pentanoic acid
CID 22170070
1-(2,2-dimethylpropyl)-3-[3-(trifluoromethoxy)phenyl]benzene
CID 122487160
5,7-dichloro-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine
CID 89389879
1-butyl-3-(trifluoromethoxy)benzene
CID 57030134

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-propyl-2-[4-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]pyrimidine?
The IUPAC name of 4-chloro-6-propyl-2-[4-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]pyrimidine (CID 22170026) is 4-chloro-6-propyl-2-[4-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]pyrimidine.
What is the SMILES notation for 4-chloro-6-propyl-2-[4-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]pyrimidine?
The canonical SMILES for 4-chloro-6-propyl-2-[4-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]pyrimidine is CCCc1cc(Cl)nc(-n2cnc(-c3cccc(OC(F)(F)F)c3)c2)n1.
What is the InChIKey of 4-chloro-6-propyl-2-[4-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]pyrimidine?
The InChIKey is BCQVNVOLRDVQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3N4O/c1-2-4-12-8-15(18)24-16(23-12)25-9-14(22-10-25)11-5-3-6-13(7-11)26-17(19,20)21/h3,5-10H,2,4H2,1H3.
What are the key properties of 4-chloro-6-propyl-2-[4-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]pyrimidine?
4-chloro-6-propyl-2-[4-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]pyrimidine has a molecular weight of 382.77 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-propyl-2-[4-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]pyrimidine is sourced from PubChem (CID 22170026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).