N-[[2-[4-fluoro-2-(trifluoromethyl)phenyl]-1H-benzimidazol-4-yl]methyl]-5-methyl-1,3-thiazol-2-amine

C19H14F4N4S — CID 143922412

IUPACN-[[2-[4-fluoro-2-(trifluoromethyl)phenyl]-1H-benzimidazol-4-yl]methyl]-5-methyl-1,3-thiazol-2-amine
SMILESCc1cnc(NCc2cccc3[nH]c(-c4ccc(F)cc4C(F)(F)F)nc23)s1
InChIInChI=1S/C19H14F4N4S/c1-10-8-24-18(28-10)25-9-11-3-2-4-15-16(11)27-17(26-15)13-6-5-12(20)7-14(13)19(21,22)23/h2-8H,9H2,1H3,(H,24,25)(H,26,27)
InChIKeyDMTXAQDSJRCLGO-UHFFFAOYSA-N
MW406.41 g/mol
LogP5.76
Rot. Bonds4

About N-[[2-[4-fluoro-2-(trifluoromethyl)phenyl]-1H-benzimidazol-4-yl]methyl]-5-methyl-1,3-thiazol-2-amine

N-[[2-[4-fluoro-2-(trifluoromethyl)phenyl]-1H-benzimidazol-4-yl]methyl]-5-methyl-1,3-thiazol-2-amine (PubChem CID 143922412) has the molecular formula C19H14F4N4S and a molecular weight of 406.41 g/mol. Its IUPAC name is N-[[2-[4-fluoro-2-(trifluoromethyl)phenyl]-1H-benzimidazol-4-yl]methyl]-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[[2-[4-fluoro-2-(trifluoromethyl)phenyl]-1H-benzimidazol-4-yl]methyl]-5-methyl-1,3-thiazol-2-amine
PubChem CID143922412
Molecular FormulaC19H14F4N4S
Molecular Weight406.41 g/mol
Exact Mass406.09
IUPAC NameN-[[2-[4-fluoro-2-(trifluoromethyl)phenyl]-1H-benzimidazol-4-yl]methyl]-5-methyl-1,3-thiazol-2-amine
SMILESCc1cnc(NCc2cccc3[nH]c(-c4ccc(F)cc4C(F)(F)F)nc23)s1
InChIInChI=1S/C19H14F4N4S/c1-10-8-24-18(28-10)25-9-11-3-2-4-15-16(11)27-17(26-15)13-6-5-12(20)7-14(13)19(21,22)23/h2-8H,9H2,1H3,(H,24,25)(H,26,27)
InChIKeyDMTXAQDSJRCLGO-UHFFFAOYSA-N
XLogP5.76
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.41
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[4-fluoro-2-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]pyridine-7-carboxylate
CID 67203080
N-[2-(2,3-dihydroxypropoxy)phenyl]-2-[4-fluoro-2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
CID 58279141
2-(5-fluoro-2-methylphenyl)-4-methyl-1H-benzimidazole
CID 64722292
N-[[2-(2-methoxyethoxy)phenyl]methyl]-5-methyl-1,3-thiazol-2-amine
CID 99783351
4-[[2-(trifluoromethyl)phenyl]methyl]-2-(3,4,5-trimethoxyphenyl)-1H-benzimidazole
CID 67700038
2-[4-fluoro-2-(trifluoromethyl)phenyl]-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476819
2-methyl-N-[[2-(1H-pyrazol-5-yl)-1H-benzimidazol-4-yl]methyl]propan-2-amine
CID 141109054
methyl 2-[4-chloro-2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxylate
CID 67201064
2-[[2-(trifluoromethyl)phenyl]methylamino]-1,3-thiazole-5-carboxylic acid
CID 80571494
2-[4-fluoro-2-(trifluoromethyl)phenyl]-N-(3-piperidin-4-yloxyphenyl)-1H-benzimidazole-4-carboxamide
CID 58278975
2-(4-fluoro-2-methylphenyl)-1H-benzimidazole-4-carbonitrile
CID 104720485
2-[4-fluoro-2-(trifluoromethyl)phenyl]-6-methylpyridine
CID 178100947

Frequently Asked Questions

What is the IUPAC name of N-[[2-[4-fluoro-2-(trifluoromethyl)phenyl]-1H-benzimidazol-4-yl]methyl]-5-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[[2-[4-fluoro-2-(trifluoromethyl)phenyl]-1H-benzimidazol-4-yl]methyl]-5-methyl-1,3-thiazol-2-amine (CID 143922412) is N-[[2-[4-fluoro-2-(trifluoromethyl)phenyl]-1H-benzimidazol-4-yl]methyl]-5-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[[2-[4-fluoro-2-(trifluoromethyl)phenyl]-1H-benzimidazol-4-yl]methyl]-5-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[[2-[4-fluoro-2-(trifluoromethyl)phenyl]-1H-benzimidazol-4-yl]methyl]-5-methyl-1,3-thiazol-2-amine is Cc1cnc(NCc2cccc3[nH]c(-c4ccc(F)cc4C(F)(F)F)nc23)s1.
What is the InChIKey of N-[[2-[4-fluoro-2-(trifluoromethyl)phenyl]-1H-benzimidazol-4-yl]methyl]-5-methyl-1,3-thiazol-2-amine?
The InChIKey is DMTXAQDSJRCLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F4N4S/c1-10-8-24-18(28-10)25-9-11-3-2-4-15-16(11)27-17(26-15)13-6-5-12(20)7-14(13)19(21,22)23/h2-8H,9H2,1H3,(H,24,25)(H,26,27).
What are the key properties of N-[[2-[4-fluoro-2-(trifluoromethyl)phenyl]-1H-benzimidazol-4-yl]methyl]-5-methyl-1,3-thiazol-2-amine?
N-[[2-[4-fluoro-2-(trifluoromethyl)phenyl]-1H-benzimidazol-4-yl]methyl]-5-methyl-1,3-thiazol-2-amine has a molecular weight of 406.41 g/mol, XLogP of 5.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[4-fluoro-2-(trifluoromethyl)phenyl]-1H-benzimidazol-4-yl]methyl]-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 143922412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).