1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;1H-imidazole;1,3-oxazole;1,3-thiazole

C30H26N8O2S2 — CID 157315177

IUPAC1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;1H-imidazole;1,3-oxazole;1,3-thiazole
SMILESc1c[nH]cn1.c1ccc2[nH]cnc2c1.c1ccc2ocnc2c1.c1ccc2scnc2c1.c1cocn1.c1cscn1
InChIInChI=1S/C7H6N2.C7H5NO.C7H5NS.C3H4N2.C3H3NO.C3H3NS/c3*1-2-4-7-6(3-1)8-5-9-7;3*1-2-5-3-4-1/h1-5H,(H,8,9);2*1-5H;1-3H,(H,4,5);2*1-3H
InChIKeyBDMUYBQYQIDUQP-UHFFFAOYSA-N
MW594.73 g/mol
LogP7.91
Rot. Bonds

About 1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;1H-imidazole;1,3-oxazole;1,3-thiazole

1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;1H-imidazole;1,3-oxazole;1,3-thiazole (PubChem CID 157315177) has the molecular formula C30H26N8O2S2 and a molecular weight of 594.73 g/mol. Its IUPAC name is 1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;1H-imidazole;1,3-oxazole;1,3-thiazole.

Molecular Properties

Compound Name1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;1H-imidazole;1,3-oxazole;1,3-thiazole
PubChem CID157315177
Molecular FormulaC30H26N8O2S2
Molecular Weight594.73 g/mol
Exact Mass594.16
IUPAC Name1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;1H-imidazole;1,3-oxazole;1,3-thiazole
SMILESc1c[nH]cn1.c1ccc2[nH]cnc2c1.c1ccc2ocnc2c1.c1ccc2scnc2c1.c1cocn1.c1cscn1
InChIInChI=1S/C7H6N2.C7H5NO.C7H5NS.C3H4N2.C3H3NO.C3H3NS/c3*1-2-4-7-6(3-1)8-5-9-7;3*1-2-5-3-4-1/h1-5H,(H,8,9);2*1-5H;1-3H,(H,4,5);2*1-3H
InChIKeyBDMUYBQYQIDUQP-UHFFFAOYSA-N
XLogP7.91
TPSA135.20 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.73
LogP ≤ 57.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

1-[(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1,3-thiazol-2-yl)propan-1-one
CID 170145314
1-[(4S)-4-(4-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1,3-thiazol-2-yl)propan-1-one
CID 176372153
1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole
CID 68631177
1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;pteridine
CID 68751654
1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;9H-carbazole;2,3-dihydro-1H-isoindole
CID 70103853
6-[6-(1H-benzimidazol-2-yl)-1,3-benzothiazol-2-yl]-1,3-benzoxazole
CID 134369063
5-[5-(1H-benzimidazol-2-yl)-1,3-benzothiazol-2-yl]-1,3-benzoxazole
CID 135137844
2-[2-(1,3-benzothiazol-2-yl)-1-(1H-imidazol-2-yl)-1-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-1-yl]-1,3-benzoxazole
CID 141054334
2-[4-(1H-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-yl)-3-imidazo[1,2-a]pyridin-2-yl-4H-quinolizin-1-yl]-1,3-benzoxazole
CID 141222485
1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;molecular hydrogen
CID 142058365
2-[2-(1H-benzimidazol-2-yl)ethyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-[2-(1,3-benzothiazol-2-yl)ethyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-(1,3-benzothiazol-2-ylmethyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-(1,3-benzoxazol-2-ylmethyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-(3H-indol-2-ylmethyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-(3H-pyrrol-2-ylmethyl)cyclohexa-2,5-diene-1,4-dione
CID 157074433
Bis(2,3-dimethylimidazo[1,2-a]pyridine);ethane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole;3,4,5-trimethyl-1,2,4-triazole
CID 157088291

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;1H-imidazole;1,3-oxazole;1,3-thiazole?
The IUPAC name of 1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;1H-imidazole;1,3-oxazole;1,3-thiazole (CID 157315177) is 1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;1H-imidazole;1,3-oxazole;1,3-thiazole.
What is the SMILES notation for 1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;1H-imidazole;1,3-oxazole;1,3-thiazole?
The canonical SMILES for 1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;1H-imidazole;1,3-oxazole;1,3-thiazole is c1c[nH]cn1.c1ccc2[nH]cnc2c1.c1ccc2ocnc2c1.c1ccc2scnc2c1.c1cocn1.c1cscn1.
What is the InChIKey of 1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;1H-imidazole;1,3-oxazole;1,3-thiazole?
The InChIKey is BDMUYBQYQIDUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2.C7H5NO.C7H5NS.C3H4N2.C3H3NO.C3H3NS/c3*1-2-4-7-6(3-1)8-5-9-7;3*1-2-5-3-4-1/h1-5H,(H,8,9);2*1-5H;1-3H,(H,4,5);2*1-3H.
What are the key properties of 1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;1H-imidazole;1,3-oxazole;1,3-thiazole?
1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;1H-imidazole;1,3-oxazole;1,3-thiazole has a molecular weight of 594.73 g/mol, XLogP of 7.91, 0 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;1H-imidazole;1,3-oxazole;1,3-thiazole is sourced from PubChem (CID 157315177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).