N-(4-chlorophenyl)sulfanyl-1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]methanamine

C16H14ClF3N4S — CID 143667934

IUPACN-(4-chlorophenyl)sulfanyl-1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]methanamine
SMILESCCn1c(CNSc2ccc(Cl)cc2)nc2cnc(C(F)(F)F)cc21
InChIInChI=1S/C16H14ClF3N4S/c1-2-24-13-7-14(16(18,19)20)21-8-12(13)23-15(24)9-22-25-11-5-3-10(17)4-6-11/h3-8,22H,2,9H2,1H3
InChIKeyVKJLOSXJHPQTHJ-UHFFFAOYSA-N
MW386.83 g/mol
LogP4.92
Rot. Bonds5

About N-(4-chlorophenyl)sulfanyl-1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]methanamine

N-(4-chlorophenyl)sulfanyl-1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]methanamine (PubChem CID 143667934) has the molecular formula C16H14ClF3N4S and a molecular weight of 386.83 g/mol. Its IUPAC name is N-(4-chlorophenyl)sulfanyl-1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]methanamine.

Molecular Properties

Compound NameN-(4-chlorophenyl)sulfanyl-1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]methanamine
PubChem CID143667934
Molecular FormulaC16H14ClF3N4S
Molecular Weight386.83 g/mol
Exact Mass386.06
IUPAC NameN-(4-chlorophenyl)sulfanyl-1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]methanamine
SMILESCCn1c(CNSc2ccc(Cl)cc2)nc2cnc(C(F)(F)F)cc21
InChIInChI=1S/C16H14ClF3N4S/c1-2-24-13-7-14(16(18,19)20)21-8-12(13)23-15(24)9-22-25-11-5-3-10(17)4-6-11/h3-8,22H,2,9H2,1H3
InChIKeyVKJLOSXJHPQTHJ-UHFFFAOYSA-N
XLogP4.92
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.83
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)sulfanyl-1-[6-(difluoromethyl)-1-ethylbenzimidazol-2-yl]methanamine
CID 143667913
2-[[(4-chlorophenyl)sulfanylamino]methyl]-3-ethylbenzimidazole-5-carbaldehyde;N,N-dimethylmethanamine
CID 143667857
1-(6-chloro-1-ethylbenzimidazol-2-yl)-N-methylmethanamine
CID 46310511
6-chloro-2-[(4-chlorophenyl)methyl]-1-ethylbenzimidazole
CID 46310462
N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-methylaniline
CID 115472577
4-cyano-N-[1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]ethyl]benzenesulfonamide
CID 68646635
N-[(5-bromo-1-ethylbenzimidazol-2-yl)methyl]-4-chloroaniline
CID 60837375
5-[[(1R)-1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]ethyl]sulfamoyl]pyridine-2-carboxamide
CID 24985567
3-(6-chloro-1-ethylbenzimidazol-2-yl)-2-methylpropan-1-amine
CID 113316610
1-(4-chlorophenyl)-N-[[1-[(3-chlorophenyl)methyl]-6-propylsulfanylbenzimidazol-2-yl]methyl]methanamine
CID 134084440
2-[4-chloro-5-(4-chlorophenyl)-3-ethylsulfanylthiophen-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 122641739
N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-1,1-dioxothiolan-3-amine
CID 115472706

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)sulfanyl-1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]methanamine?
The IUPAC name of N-(4-chlorophenyl)sulfanyl-1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]methanamine (CID 143667934) is N-(4-chlorophenyl)sulfanyl-1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]methanamine.
What is the SMILES notation for N-(4-chlorophenyl)sulfanyl-1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]methanamine?
The canonical SMILES for N-(4-chlorophenyl)sulfanyl-1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]methanamine is CCn1c(CNSc2ccc(Cl)cc2)nc2cnc(C(F)(F)F)cc21.
What is the InChIKey of N-(4-chlorophenyl)sulfanyl-1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]methanamine?
The InChIKey is VKJLOSXJHPQTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3N4S/c1-2-24-13-7-14(16(18,19)20)21-8-12(13)23-15(24)9-22-25-11-5-3-10(17)4-6-11/h3-8,22H,2,9H2,1H3.
What are the key properties of N-(4-chlorophenyl)sulfanyl-1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]methanamine?
N-(4-chlorophenyl)sulfanyl-1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]methanamine has a molecular weight of 386.83 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)sulfanyl-1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]methanamine is sourced from PubChem (CID 143667934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).