2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-3H-benzimidazol-5-yl]-1,3-thiazole

C20H18ClN5S — CID 82563335

IUPAC2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-3H-benzimidazol-5-yl]-1,3-thiazole
SMILESClc1cccc(N2CCN(c3nc4ccc(-c5nccs5)cc4[nH]3)CC2)c1
InChIInChI=1S/C20H18ClN5S/c21-15-2-1-3-16(13-15)25-7-9-26(10-8-25)20-23-17-5-4-14(12-18(17)24-20)19-22-6-11-27-19/h1-6,11-13H,7-10H2,(H,23,24)
InChIKeyVWNXJUFFJSYBMC-UHFFFAOYSA-N
MW395.92 g/mol
LogP4.67
Rot. Bonds3

About 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-3H-benzimidazol-5-yl]-1,3-thiazole

2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-3H-benzimidazol-5-yl]-1,3-thiazole (PubChem CID 82563335) has the molecular formula C20H18ClN5S and a molecular weight of 395.92 g/mol. Its IUPAC name is 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-3H-benzimidazol-5-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-3H-benzimidazol-5-yl]-1,3-thiazole
PubChem CID82563335
Molecular FormulaC20H18ClN5S
Molecular Weight395.92 g/mol
Exact Mass395.10
IUPAC Name2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-3H-benzimidazol-5-yl]-1,3-thiazole
SMILESClc1cccc(N2CCN(c3nc4ccc(-c5nccs5)cc4[nH]3)CC2)c1
InChIInChI=1S/C20H18ClN5S/c21-15-2-1-3-16(13-15)25-7-9-26(10-8-25)20-23-17-5-4-14(12-18(17)24-20)19-22-6-11-27-19/h1-6,11-13H,7-10H2,(H,23,24)
InChIKeyVWNXJUFFJSYBMC-UHFFFAOYSA-N
XLogP4.67
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.92
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-3H-benzimidazol-5-yl]-1,3-thiazole?
The IUPAC name of 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-3H-benzimidazol-5-yl]-1,3-thiazole (CID 82563335) is 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-3H-benzimidazol-5-yl]-1,3-thiazole.
What is the SMILES notation for 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-3H-benzimidazol-5-yl]-1,3-thiazole?
The canonical SMILES for 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-3H-benzimidazol-5-yl]-1,3-thiazole is Clc1cccc(N2CCN(c3nc4ccc(-c5nccs5)cc4[nH]3)CC2)c1.
What is the InChIKey of 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-3H-benzimidazol-5-yl]-1,3-thiazole?
The InChIKey is VWNXJUFFJSYBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5S/c21-15-2-1-3-16(13-15)25-7-9-26(10-8-25)20-23-17-5-4-14(12-18(17)24-20)19-22-6-11-27-19/h1-6,11-13H,7-10H2,(H,23,24).
What are the key properties of 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-3H-benzimidazol-5-yl]-1,3-thiazole?
2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-3H-benzimidazol-5-yl]-1,3-thiazole has a molecular weight of 395.92 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-3H-benzimidazol-5-yl]-1,3-thiazole is sourced from PubChem (CID 82563335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).