N-[1-(5,6-dichloro-1-propylbenzimidazol-2-yl)ethyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine

C22H22Cl2N4S — CID 24789402

IUPACN-[1-(5,6-dichloro-1-propylbenzimidazol-2-yl)ethyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine
SMILESCCCn1c(C(C)Nc2nc(-c3ccc(C)cc3)cs2)nc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C22H22Cl2N4S/c1-4-9-28-20-11-17(24)16(23)10-18(20)26-21(28)14(3)25-22-27-19(12-29-22)15-7-5-13(2)6-8-15/h5-8,10-12,14H,4,9H2,1-3H3,(H,25,27)
InChIKeyMICQSZUGFZHIBV-UHFFFAOYSA-N
MW445.42 g/mol
LogP7.36
Rot. Bonds6

About N-[1-(5,6-dichloro-1-propylbenzimidazol-2-yl)ethyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine

N-[1-(5,6-dichloro-1-propylbenzimidazol-2-yl)ethyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine (PubChem CID 24789402) has the molecular formula C22H22Cl2N4S and a molecular weight of 445.42 g/mol. Its IUPAC name is N-[1-(5,6-dichloro-1-propylbenzimidazol-2-yl)ethyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[1-(5,6-dichloro-1-propylbenzimidazol-2-yl)ethyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine
PubChem CID24789402
Molecular FormulaC22H22Cl2N4S
Molecular Weight445.42 g/mol
Exact Mass444.09
IUPAC NameN-[1-(5,6-dichloro-1-propylbenzimidazol-2-yl)ethyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine
SMILESCCCn1c(C(C)Nc2nc(-c3ccc(C)cc3)cs2)nc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C22H22Cl2N4S/c1-4-9-28-20-11-17(24)16(23)10-18(20)26-21(28)14(3)25-22-27-19(12-29-22)15-7-5-13(2)6-8-15/h5-8,10-12,14H,4,9H2,1-3H3,(H,25,27)
InChIKeyMICQSZUGFZHIBV-UHFFFAOYSA-N
XLogP7.36
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.42
LogP ≤ 57.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5,6-Dichloro-2-{1-[4-(4-chloro-phenyl)-thiazol-2-yl]-pyrrolidin-2-yl}-benzoimidazol-1-yl)-propan-1-ol
CID 23724109
[4-(4-Fluoro-phenyl)-thiazol-2-yl]-{1-[1-(4-methyl-benzyl)-5-trifluoromethyl-1H-benzoimidazol-2-yl]-ethyl}-amine
CID 23724125
5-chloro-2-methyl-1-(2-(piperidin-1-yl)ethyl)-6-(4-(4-p-tolylthiazol-2-yl)piperazin-1-yl)-1H-benzo[d]imidazole
CID 24762115
5-Chloro-6-piperidin-1-yl-1-propyl-2-[1-(4-p-tolyl-thiazol-2-yl)-pyrrolidin-2-yl]-1H-benzoimidazole
CID 24789399
1-Propyl-2-[1-(4-p-tolyl-thiazol-2-yl)-pyrrolidin-2-yl]-1H-benzoimidazole
CID 24789405
[1-(1-Propyl-1H-benzoimidazol-2-yl)-ethyl]-(4-p-tolyl-thiazol-2-yl)-amine
CID 24789416
4-(4-chloro-3-nitrophenyl)-N-[2-(5,6-dichloro-1-propyl-2-benzimidazolyl)ethyl]-2-thiazolamine
CID 24789417
{1-[5,6-Dichloro-1-(4-methyl-benzyl)-1H-benzoimidazol-2-yl]-ethyl}-(4-p-tolyl-thiazol-2-yl)-amine
CID 24793603
4-p-tolyl-N-(2-(2-(trifluoromethyl)-1H-benzo[d]imidazol-1-yl)ethyl)thiazol-2-amine
CID 24817246
N-(2-(2-(pyridin-4-yl)-1H-benzo[d]imidazol-1-yl)ethyl)-4-p-tolylthiazol-2-amine
CID 24819707
Cox-2-IN-27
CID 156021294
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-amine
CID 162660678

Frequently Asked Questions

What is the IUPAC name of N-[1-(5,6-dichloro-1-propylbenzimidazol-2-yl)ethyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[1-(5,6-dichloro-1-propylbenzimidazol-2-yl)ethyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine (CID 24789402) is N-[1-(5,6-dichloro-1-propylbenzimidazol-2-yl)ethyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[1-(5,6-dichloro-1-propylbenzimidazol-2-yl)ethyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[1-(5,6-dichloro-1-propylbenzimidazol-2-yl)ethyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine is CCCn1c(C(C)Nc2nc(-c3ccc(C)cc3)cs2)nc2cc(Cl)c(Cl)cc21.
What is the InChIKey of N-[1-(5,6-dichloro-1-propylbenzimidazol-2-yl)ethyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine?
The InChIKey is MICQSZUGFZHIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2N4S/c1-4-9-28-20-11-17(24)16(23)10-18(20)26-21(28)14(3)25-22-27-19(12-29-22)15-7-5-13(2)6-8-15/h5-8,10-12,14H,4,9H2,1-3H3,(H,25,27).
What are the key properties of N-[1-(5,6-dichloro-1-propylbenzimidazol-2-yl)ethyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine?
N-[1-(5,6-dichloro-1-propylbenzimidazol-2-yl)ethyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine has a molecular weight of 445.42 g/mol, XLogP of 7.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5,6-dichloro-1-propylbenzimidazol-2-yl)ethyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 24789402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).