2-[1-[4-chloro-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]imidazol-4-yl]propan-2-ol

C17H15ClF3N5O — CID 72704256

IUPAC2-[1-[4-chloro-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]imidazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cn(-c2cc(Cl)cc(Nc3cc(C(F)(F)F)ccn3)n2)cn1
InChIInChI=1S/C17H15ClF3N5O/c1-16(2,27)12-8-26(9-23-12)15-7-11(18)6-14(25-15)24-13-5-10(3-4-22-13)17(19,20)21/h3-9,27H,1-2H3,(H,22,24,25)
InChIKeyNRVSNEJVFJAUKI-UHFFFAOYSA-N
MW397.79 g/mol
LogP4.31
Rot. Bonds4

About 2-[1-[4-chloro-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]imidazol-4-yl]propan-2-ol

2-[1-[4-chloro-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]imidazol-4-yl]propan-2-ol (PubChem CID 72704256) has the molecular formula C17H15ClF3N5O and a molecular weight of 397.79 g/mol. Its IUPAC name is 2-[1-[4-chloro-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]imidazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[4-chloro-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]imidazol-4-yl]propan-2-ol
PubChem CID72704256
Molecular FormulaC17H15ClF3N5O
Molecular Weight397.79 g/mol
Exact Mass397.09
IUPAC Name2-[1-[4-chloro-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]imidazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cn(-c2cc(Cl)cc(Nc3cc(C(F)(F)F)ccn3)n2)cn1
InChIInChI=1S/C17H15ClF3N5O/c1-16(2,27)12-8-26(9-23-12)15-7-11(18)6-14(25-15)24-13-5-10(3-4-22-13)17(19,20)21/h3-9,27H,1-2H3,(H,22,24,25)
InChIKeyNRVSNEJVFJAUKI-UHFFFAOYSA-N
XLogP4.31
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.79
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[1-[4-chloro-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]imidazol-4-yl]propan-2-ol with MolForge

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Related Compounds

6-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]quinolin-2-amine
CID 137378416
[4-hydroxy-4-[1-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]imidazol-4-yl]cyclohexyl] benzoate
CID 118160784
2-(3-chlorophenyl)-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol
CID 133473010
5-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]isoquinolin-3-amine
CID 177312580
6-bromo-4-(methoxymethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
CID 90237804
2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide
CID 99819963
N-methyl-4-(trifluoromethyl)pyridin-2-amine;hydrochloride
CID 175492104
4-methyl-6-(2H-triazol-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
CID 118271576
2-N-(4-chloro-2-pyridinyl)-6-[4-(dicyclopropylmethyl)imidazol-1-yl]pyridine-2,4-diamine
CID 135320677
[4-(trifluoromethyl)-2-pyridinyl]carbamic acid
CID 67479537
4-methyl-6-pyridin-3-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
CID 149220337
N-[2-[2-(ethylamino)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]ethyl]acetamide
CID 123439217

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-chloro-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]imidazol-4-yl]propan-2-ol?
The IUPAC name of 2-[1-[4-chloro-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]imidazol-4-yl]propan-2-ol (CID 72704256) is 2-[1-[4-chloro-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]imidazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[4-chloro-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]imidazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[4-chloro-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]imidazol-4-yl]propan-2-ol is CC(C)(O)c1cn(-c2cc(Cl)cc(Nc3cc(C(F)(F)F)ccn3)n2)cn1.
What is the InChIKey of 2-[1-[4-chloro-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]imidazol-4-yl]propan-2-ol?
The InChIKey is NRVSNEJVFJAUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3N5O/c1-16(2,27)12-8-26(9-23-12)15-7-11(18)6-14(25-15)24-13-5-10(3-4-22-13)17(19,20)21/h3-9,27H,1-2H3,(H,22,24,25).
What are the key properties of 2-[1-[4-chloro-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]imidazol-4-yl]propan-2-ol?
2-[1-[4-chloro-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]imidazol-4-yl]propan-2-ol has a molecular weight of 397.79 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-chloro-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]imidazol-4-yl]propan-2-ol is sourced from PubChem (CID 72704256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).