4-chloro-N-[4-(2,6-dimethylpyrimidin-4-yl)oxyphenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine

C20H15ClF3N5O — CID 11351000

IUPAC4-chloro-N-[4-(2,6-dimethylpyrimidin-4-yl)oxyphenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine
SMILESCc1cc(Oc2ccc(Nc3nc4c(Cl)cc(C(F)(F)F)cc4[nH]3)cc2)nc(C)n1
InChIInChI=1S/C20H15ClF3N5O/c1-10-7-17(26-11(2)25-10)30-14-5-3-13(4-6-14)27-19-28-16-9-12(20(22,23)24)8-15(21)18(16)29-19/h3-9H,1-2H3,(H2,27,28,29)
InChIKeyRVFDCIJCBGJCSN-UHFFFAOYSA-N
MW433.82 g/mol
LogP6.18
Rot. Bonds4

About 4-chloro-N-[4-(2,6-dimethylpyrimidin-4-yl)oxyphenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine

4-chloro-N-[4-(2,6-dimethylpyrimidin-4-yl)oxyphenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine (PubChem CID 11351000) has the molecular formula C20H15ClF3N5O and a molecular weight of 433.82 g/mol. Its IUPAC name is 4-chloro-N-[4-(2,6-dimethylpyrimidin-4-yl)oxyphenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name4-chloro-N-[4-(2,6-dimethylpyrimidin-4-yl)oxyphenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine
PubChem CID11351000
Molecular FormulaC20H15ClF3N5O
Molecular Weight433.82 g/mol
Exact Mass433.09
IUPAC Name4-chloro-N-[4-(2,6-dimethylpyrimidin-4-yl)oxyphenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine
SMILESCc1cc(Oc2ccc(Nc3nc4c(Cl)cc(C(F)(F)F)cc4[nH]3)cc2)nc(C)n1
InChIInChI=1S/C20H15ClF3N5O/c1-10-7-17(26-11(2)25-10)30-14-5-3-13(4-6-14)27-19-28-16-9-12(20(22,23)24)8-15(21)18(16)29-19/h3-9H,1-2H3,(H2,27,28,29)
InChIKeyRVFDCIJCBGJCSN-UHFFFAOYSA-N
XLogP6.18
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.82
LogP ≤ 56.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N2-(5,6-dichloro-1H-benzimidazol-2-yl)-N4-[3-(diethylaminomethyl)-4-ethoxy-phenyl]-6-methyl-pyrimidine-2,4-diamine
CID 477230
2-[2-[2-(4-chlorophenoxy)-5-fluorophenyl]-3H-benzimidazol-5-yl]-3H-benzimidazole-5-carboximidamide
CID 42631061
2-N-(5,6-dichloro-1H-benzimidazol-2-yl)-4-N-[3-(diethylaminomethyl)-4-methoxyphenyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 44275132
6-tert-butyl-4-chloro-2-[4-chloro-3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-1H-benzimidazole;hydrochloride
CID 9849892
6-tert-butyl-4-chloro-2-[4-chloro-3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-1H-benzimidazole
CID 9849893
6-tert-butyl-2-[3-chloro-5-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-1H-benzimidazole
CID 9913699
methyl N-[5-[4-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate
CID 10118849
5-chloro-N-(4-pyridin-4-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine
CID 11153945
2-[3-chloro-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-6-(trifluoromethyl)-1H-benzimidazole
CID 11190231
5-chloro-N-(4-pyridin-3-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine
CID 11223438
N-[2-(2-tert-butylphenoxy)-6-methoxypyridin-3-yl]-4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-amine
CID 11237194
N-[4-(2-amino-6-methylpyrimidin-4-yl)oxyphenyl]-4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-amine
CID 11270478

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(2,6-dimethylpyrimidin-4-yl)oxyphenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine?
The IUPAC name of 4-chloro-N-[4-(2,6-dimethylpyrimidin-4-yl)oxyphenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine (CID 11351000) is 4-chloro-N-[4-(2,6-dimethylpyrimidin-4-yl)oxyphenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine.
What is the SMILES notation for 4-chloro-N-[4-(2,6-dimethylpyrimidin-4-yl)oxyphenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine?
The canonical SMILES for 4-chloro-N-[4-(2,6-dimethylpyrimidin-4-yl)oxyphenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine is Cc1cc(Oc2ccc(Nc3nc4c(Cl)cc(C(F)(F)F)cc4[nH]3)cc2)nc(C)n1.
What is the InChIKey of 4-chloro-N-[4-(2,6-dimethylpyrimidin-4-yl)oxyphenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine?
The InChIKey is RVFDCIJCBGJCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF3N5O/c1-10-7-17(26-11(2)25-10)30-14-5-3-13(4-6-14)27-19-28-16-9-12(20(22,23)24)8-15(21)18(16)29-19/h3-9H,1-2H3,(H2,27,28,29).
What are the key properties of 4-chloro-N-[4-(2,6-dimethylpyrimidin-4-yl)oxyphenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine?
4-chloro-N-[4-(2,6-dimethylpyrimidin-4-yl)oxyphenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine has a molecular weight of 433.82 g/mol, XLogP of 6.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(2,6-dimethylpyrimidin-4-yl)oxyphenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 11351000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).