4-(4-butyl-1H-benzimidazol-2-yl)-1,3-thiazole

C14H15N3S — CID 70464095

IUPAC4-(4-butyl-1H-benzimidazol-2-yl)-1,3-thiazole
SMILESCCCCc1cccc2[nH]c(-c3cscn3)nc12
InChIInChI=1S/C14H15N3S/c1-2-3-5-10-6-4-7-11-13(10)17-14(16-11)12-8-18-9-15-12/h4,6-9H,2-3,5H2,1H3,(H,16,17)
InChIKeyUAXIVTGAQVQFPJ-UHFFFAOYSA-N
MW257.36 g/mol
LogP4.03
Rot. Bonds4

About 4-(4-butyl-1H-benzimidazol-2-yl)-1,3-thiazole

4-(4-butyl-1H-benzimidazol-2-yl)-1,3-thiazole (PubChem CID 70464095) has the molecular formula C14H15N3S and a molecular weight of 257.36 g/mol. Its IUPAC name is 4-(4-butyl-1H-benzimidazol-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(4-butyl-1H-benzimidazol-2-yl)-1,3-thiazole
PubChem CID70464095
Molecular FormulaC14H15N3S
Molecular Weight257.36 g/mol
Exact Mass257.10
IUPAC Name4-(4-butyl-1H-benzimidazol-2-yl)-1,3-thiazole
SMILESCCCCc1cccc2[nH]c(-c3cscn3)nc12
InChIInChI=1S/C14H15N3S/c1-2-3-5-10-6-4-7-11-13(10)17-14(16-11)12-8-18-9-15-12/h4,6-9H,2-3,5H2,1H3,(H,16,17)
InChIKeyUAXIVTGAQVQFPJ-UHFFFAOYSA-N
XLogP4.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(diiodomethyl)-1H-benzimidazol-2-yl]-1,3-thiazole
CID 154002822
methyl N-(4-butyl-1H-benzimidazol-2-yl)carbamate
CID 23619181
1-heptylphenazine;hydrochloride
CID 175352325
2-heptyl-4-(1,3-thiazol-4-yl)-1,3-thiazole
CID 70025140
2-hexyl-4-(1,3-thiazol-4-yl)-1,3-thiazole
CID 54071761
1,2-dibutyl-3-dodecylbenzene
CID 91050964
2-butyl-1,3-di(tetracosyl)benzene
CID 91602515
4-hexyl-2H-benzotriazol-3-ium
CID 173176516
1-dodecyl-2-octyl-3-tridecylbenzene
CID 175505104
1,2,3-tri(icosyl)benzene
CID 90987509
4-heptyl-1,3-thiazole;octane
CID 91422595
2-butyl-1-octyl-3-propylbenzene
CID 141216645

Frequently Asked Questions

What is the IUPAC name of 4-(4-butyl-1H-benzimidazol-2-yl)-1,3-thiazole?
The IUPAC name of 4-(4-butyl-1H-benzimidazol-2-yl)-1,3-thiazole (CID 70464095) is 4-(4-butyl-1H-benzimidazol-2-yl)-1,3-thiazole.
What is the SMILES notation for 4-(4-butyl-1H-benzimidazol-2-yl)-1,3-thiazole?
The canonical SMILES for 4-(4-butyl-1H-benzimidazol-2-yl)-1,3-thiazole is CCCCc1cccc2[nH]c(-c3cscn3)nc12.
What is the InChIKey of 4-(4-butyl-1H-benzimidazol-2-yl)-1,3-thiazole?
The InChIKey is UAXIVTGAQVQFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S/c1-2-3-5-10-6-4-7-11-13(10)17-14(16-11)12-8-18-9-15-12/h4,6-9H,2-3,5H2,1H3,(H,16,17).
What are the key properties of 4-(4-butyl-1H-benzimidazol-2-yl)-1,3-thiazole?
4-(4-butyl-1H-benzimidazol-2-yl)-1,3-thiazole has a molecular weight of 257.36 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butyl-1H-benzimidazol-2-yl)-1,3-thiazole is sourced from PubChem (CID 70464095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).