4-(1H-benzimidazol-2-yl)-1,3-thiazole;2-(2-chlorophenyl)-1H-benzimidazole;2-(furan-2-yl)-1H-benzimidazole

C34H24ClN7OS — CID 159778019

IUPAC4-(1H-benzimidazol-2-yl)-1,3-thiazole;2-(2-chlorophenyl)-1H-benzimidazole;2-(furan-2-yl)-1H-benzimidazole
SMILESClc1ccccc1-c1nc2ccccc2[nH]1.c1ccc2[nH]c(-c3cscn3)nc2c1.c1coc(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C13H9ClN2.C11H8N2O.C10H7N3S/c14-10-6-2-1-5-9(10)13-15-11-7-3-4-8-12(11)16-13;1-2-5-9-8(4-1)12-11(13-9)10-6-3-7-14-10;1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-8H,(H,15,16);1-7H,(H,12,13);1-6H,(H,12,13)
InChIKeyNGZNHDVTUSPUHK-UHFFFAOYSA-N
MW614.13 g/mol
LogP9.39
Rot. Bonds3

About 4-(1H-benzimidazol-2-yl)-1,3-thiazole;2-(2-chlorophenyl)-1H-benzimidazole;2-(furan-2-yl)-1H-benzimidazole

4-(1H-benzimidazol-2-yl)-1,3-thiazole;2-(2-chlorophenyl)-1H-benzimidazole;2-(furan-2-yl)-1H-benzimidazole (PubChem CID 159778019) has the molecular formula C34H24ClN7OS and a molecular weight of 614.13 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-1,3-thiazole;2-(2-chlorophenyl)-1H-benzimidazole;2-(furan-2-yl)-1H-benzimidazole.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)-1,3-thiazole;2-(2-chlorophenyl)-1H-benzimidazole;2-(furan-2-yl)-1H-benzimidazole
PubChem CID159778019
Molecular FormulaC34H24ClN7OS
Molecular Weight614.13 g/mol
Exact Mass613.15
IUPAC Name4-(1H-benzimidazol-2-yl)-1,3-thiazole;2-(2-chlorophenyl)-1H-benzimidazole;2-(furan-2-yl)-1H-benzimidazole
SMILESClc1ccccc1-c1nc2ccccc2[nH]1.c1ccc2[nH]c(-c3cscn3)nc2c1.c1coc(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C13H9ClN2.C11H8N2O.C10H7N3S/c14-10-6-2-1-5-9(10)13-15-11-7-3-4-8-12(11)16-13;1-2-5-9-8(4-1)12-11(13-9)10-6-3-7-14-10;1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-8H,(H,15,16);1-7H,(H,12,13);1-6H,(H,12,13)
InChIKeyNGZNHDVTUSPUHK-UHFFFAOYSA-N
XLogP9.39
TPSA112.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.13
LogP ≤ 59.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[[5-(3-chlorophenyl)-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-benzimidazole
CID 667188
4-(1H-benzimidazol-2-yl)-1,3-thiazole;2-(furan-2-yl)-1H-benzimidazole
CID 70445332
N-(4-chlorophenyl)-2-[2-(furan-2-yl)benzimidazol-1-yl]acetamide;N-(4-chlorophenyl)-3-methyl-2-[2-(3H-pyrrol-5-yl)benzimidazol-1-yl]butanamide;N-[4-(4-chlorophenyl)phenyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide;4-chloro-N-[2-[2-(3H-pyrrol-5-yl)benzimidazol-1-yl]ethyl]benzamide
CID 159371905
4-(1H-benzimidazol-2-yl)-1,3-thiazole;2-(2-chlorophenyl)-1H-benzimidazole;2-(3,5-dimethylpyrazol-1-yl)-1H-benzimidazole;2-(2-ethoxyethoxy)ethyl N-(1H-benzimidazol-2-yl)carbamate;2-(furan-2-yl)-1H-benzimidazole;methyl N-(1H-benzimidazol-2-yl)carbamate;methyl N-[1-(butylcarbamoyl)benzimidazol-2-yl]carbamate;methyl N-[1-(5-cyanopentylcarbamoyl)benzimidazol-2-yl]carbamate;methyl N-[1-(2-methylsulfanylethylcarbamoyl)benzimidazol-2-yl]carbamate
CID 173123584
3-(Benzimidazol-2-ylmethylthio)-5-(4-chlorophenyl)-4-(2-furylmethyl)-1,2,4-tri azole
CID 24210054
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 32048702
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 46558160
4-[6-[2-(4-pyridin-4-ylfuran-2-yl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]-1,3-thiazole
CID 54674541
N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 55542728
N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 55946372

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-1,3-thiazole;2-(2-chlorophenyl)-1H-benzimidazole;2-(furan-2-yl)-1H-benzimidazole?
The IUPAC name of 4-(1H-benzimidazol-2-yl)-1,3-thiazole;2-(2-chlorophenyl)-1H-benzimidazole;2-(furan-2-yl)-1H-benzimidazole (CID 159778019) is 4-(1H-benzimidazol-2-yl)-1,3-thiazole;2-(2-chlorophenyl)-1H-benzimidazole;2-(furan-2-yl)-1H-benzimidazole.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-1,3-thiazole;2-(2-chlorophenyl)-1H-benzimidazole;2-(furan-2-yl)-1H-benzimidazole?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)-1,3-thiazole;2-(2-chlorophenyl)-1H-benzimidazole;2-(furan-2-yl)-1H-benzimidazole is Clc1ccccc1-c1nc2ccccc2[nH]1.c1ccc2[nH]c(-c3cscn3)nc2c1.c1coc(-c2nc3ccccc3[nH]2)c1.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)-1,3-thiazole;2-(2-chlorophenyl)-1H-benzimidazole;2-(furan-2-yl)-1H-benzimidazole?
The InChIKey is NGZNHDVTUSPUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2.C11H8N2O.C10H7N3S/c14-10-6-2-1-5-9(10)13-15-11-7-3-4-8-12(11)16-13;1-2-5-9-8(4-1)12-11(13-9)10-6-3-7-14-10;1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-8H,(H,15,16);1-7H,(H,12,13);1-6H,(H,12,13).
What are the key properties of 4-(1H-benzimidazol-2-yl)-1,3-thiazole;2-(2-chlorophenyl)-1H-benzimidazole;2-(furan-2-yl)-1H-benzimidazole?
4-(1H-benzimidazol-2-yl)-1,3-thiazole;2-(2-chlorophenyl)-1H-benzimidazole;2-(furan-2-yl)-1H-benzimidazole has a molecular weight of 614.13 g/mol, XLogP of 9.39, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)-1,3-thiazole;2-(2-chlorophenyl)-1H-benzimidazole;2-(furan-2-yl)-1H-benzimidazole is sourced from PubChem (CID 159778019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).