5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-amine;4-[3-[[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide;3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]benzoic acid

C44H32Cl2F6N10O7 — CID 159631223

IUPAC5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-amine;4-[3-[[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide;3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]benzoic acid
SMILESCNC(=O)c1cc(Oc2cccc(C(=O)Nc3nc4cc(Cl)c(C(F)(F)F)cc4[nH]3)c2)ccn1.CNC(=O)c1cc(Oc2cccc(C(=O)O)c2)ccn1.Nc1nc2cc(Cl)c(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C22H15ClF3N5O3.C14H12N2O4.C8H5ClF3N3/c1-27-20(33)18-8-13(5-6-28-18)34-12-4-2-3-11(7-12)19(32)31-21-29-16-9-14(22(24,25)26)15(23)10-17(16)30-21;1-15-13(17)12-8-11(5-6-16-12)20-10-4-2-3-9(7-10)14(18)19;9-4-2-6-5(14-7(13)15-6)1-3(4)8(10,11)12/h2-10H,1H3,(H,27,33)(H2,29,30,31,32);2-8H,1H3,(H,15,17)(H,18,19);1-2H,(H3,13,14,15)
InChIKeyMPDPFQWYJSDQTI-UHFFFAOYSA-N
MW997.70 g/mol
LogP9.78
Rot. Bonds9

About 5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-amine;4-[3-[[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide;3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]benzoic acid

5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-amine;4-[3-[[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide;3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]benzoic acid (PubChem CID 159631223) has the molecular formula C44H32Cl2F6N10O7 and a molecular weight of 997.70 g/mol. Its IUPAC name is 5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-amine;4-[3-[[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide;3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]benzoic acid.

Molecular Properties

Compound Name5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-amine;4-[3-[[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide;3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]benzoic acid
PubChem CID159631223
Molecular FormulaC44H32Cl2F6N10O7
Molecular Weight997.70 g/mol
Exact Mass996.17
IUPAC Name5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-amine;4-[3-[[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide;3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]benzoic acid
SMILESCNC(=O)c1cc(Oc2cccc(C(=O)Nc3nc4cc(Cl)c(C(F)(F)F)cc4[nH]3)c2)ccn1.CNC(=O)c1cc(Oc2cccc(C(=O)O)c2)ccn1.Nc1nc2cc(Cl)c(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C22H15ClF3N5O3.C14H12N2O4.C8H5ClF3N3/c1-27-20(33)18-8-13(5-6-28-18)34-12-4-2-3-11(7-12)19(32)31-21-29-16-9-14(22(24,25)26)15(23)10-17(16)30-21;1-15-13(17)12-8-11(5-6-16-12)20-10-4-2-3-9(7-10)14(18)19;9-4-2-6-5(14-7(13)15-6)1-3(4)8(10,11)12/h2-10H,1H3,(H,27,33)(H2,29,30,31,32);2-8H,1H3,(H,15,17)(H,18,19);1-2H,(H3,13,14,15)
InChIKeyMPDPFQWYJSDQTI-UHFFFAOYSA-N
XLogP9.78
TPSA252.22 Ų
H-Bond Donors7
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500997.70
LogP ≤ 59.78
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1011

Analyze 5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-amine;4-[3-[[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide;3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]benzoic acid with MolForge

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Related Compounds

N-methyl-4-[3-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]carbamoyl]phenoxy]pyridine-2-carboxamide
CID 11248037
4-[3-[[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 11431804
4-[[2-[4-chloro-3-(trifluoromethyl)anilino]-6-methyl-1H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
CID 57678536
5-[[6-chloro-5-(1-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-benzimidazol-3-ium-2-yl]oxy]-2-methylbenzoic acid;2,2,2-trifluoroacetate
CID 68659478
5-[[6-chloro-5-(2-pyrrolidin-1-ylpyrimidin-1-ium-5-yl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;2,2,2-trifluoroacetate
CID 68659484
5-(3-aminophenoxy)-N-methylpyridine-2-carboxamide;N-[3-[[6-(methylcarbamoyl)-3-pyridinyl]oxy]phenyl]-6-(trifluoromethyl)-1H-benzimidazole-2-carboxamide;6-(trifluoromethyl)-1H-benzimidazole-2-carboxylic acid
CID 158024515
dioxomanganese;methyl 2-[4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-2-pyridinyl]-4,5-dihydro-1H-imidazole-5-carboxylate;methyl 2-[4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-2-pyridinyl]-1H-imidazole-5-carboxylate
CID 158702086
4-(4-aminophenoxy)-N-methylpyridine-2-carboxamide;N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-6-(trifluoromethyl)-1H-benzimidazole-2-carboxamide;6-(trifluoromethyl)-1H-benzimidazole-2-carboxylic acid
CID 160111049
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;1-(4-fluorophenyl)-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]urea
CID 160164588
4-chloropyridine-2-carbaldehyde;4-chloro-2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine;3-[4-chloro-3-(trifluoromethyl)phenyl]-1-methyl-1-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]urea;N-methyl-4-[[2-[5-(trifluoromethyl)-4H-imidazol-2-yl]-4-pyridinyl]oxy]aniline
CID 160446491
4-(3-aminophenoxy)-N-methylpyridine-2-carboxamide;N-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-6-(trifluoromethyl)-1H-benzimidazole-2-carboxamide;6-(trifluoromethyl)-1H-benzimidazole-2-carboxylic acid
CID 160774594
3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]benzoic acid;N-methyl-4-[3-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]carbamoyl]phenoxy]pyridine-2-carboxamide;6-(trifluoromethyl)-1H-benzimidazol-2-amine
CID 161477762

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-amine;4-[3-[[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide;3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]benzoic acid?
The IUPAC name of 5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-amine;4-[3-[[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide;3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]benzoic acid (CID 159631223) is 5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-amine;4-[3-[[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide;3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]benzoic acid.
What is the SMILES notation for 5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-amine;4-[3-[[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide;3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]benzoic acid?
The canonical SMILES for 5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-amine;4-[3-[[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide;3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]benzoic acid is CNC(=O)c1cc(Oc2cccc(C(=O)Nc3nc4cc(Cl)c(C(F)(F)F)cc4[nH]3)c2)ccn1.CNC(=O)c1cc(Oc2cccc(C(=O)O)c2)ccn1.Nc1nc2cc(Cl)c(C(F)(F)F)cc2[nH]1.
What is the InChIKey of 5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-amine;4-[3-[[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide;3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]benzoic acid?
The InChIKey is MPDPFQWYJSDQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClF3N5O3.C14H12N2O4.C8H5ClF3N3/c1-27-20(33)18-8-13(5-6-28-18)34-12-4-2-3-11(7-12)19(32)31-21-29-16-9-14(22(24,25)26)15(23)10-17(16)30-21;1-15-13(17)12-8-11(5-6-16-12)20-10-4-2-3-9(7-10)14(18)19;9-4-2-6-5(14-7(13)15-6)1-3(4)8(10,11)12/h2-10H,1H3,(H,27,33)(H2,29,30,31,32);2-8H,1H3,(H,15,17)(H,18,19);1-2H,(H3,13,14,15).
What are the key properties of 5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-amine;4-[3-[[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide;3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]benzoic acid?
5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-amine;4-[3-[[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide;3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]benzoic acid has a molecular weight of 997.70 g/mol, XLogP of 9.78, 9 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-amine;4-[3-[[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide;3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]benzoic acid is sourced from PubChem (CID 159631223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).