4-tert-butyl-2-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-1,3-thiazole

C16H23N3S — CID 116626719

IUPAC4-tert-butyl-2-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-1,3-thiazole
SMILESCc1nc2c(n1Cc1nc(C(C)(C)C)cs1)CCCC2
InChIInChI=1S/C16H23N3S/c1-11-17-12-7-5-6-8-13(12)19(11)9-15-18-14(10-20-15)16(2,3)4/h10H,5-9H2,1-4H3
InChIKeySZUKYUICVLTWST-UHFFFAOYSA-N
MW289.45 g/mol
LogP3.87
Rot. Bonds2

About 4-tert-butyl-2-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-1,3-thiazole

4-tert-butyl-2-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-1,3-thiazole (PubChem CID 116626719) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is 4-tert-butyl-2-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-tert-butyl-2-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-1,3-thiazole
PubChem CID116626719
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC Name4-tert-butyl-2-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-1,3-thiazole
SMILESCc1nc2c(n1Cc1nc(C(C)(C)C)cs1)CCCC2
InChIInChI=1S/C16H23N3S/c1-11-17-12-7-5-6-8-13(12)19(11)9-15-18-14(10-20-15)16(2,3)4/h10H,5-9H2,1-4H3
InChIKeySZUKYUICVLTWST-UHFFFAOYSA-N
XLogP3.87
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-tert-butyl-2-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-1,3-thiazole with MolForge

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Related Compounds

1-[(3,5-dimethylphenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 116626608
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-3-ol
CID 113343942
4-tert-butyl-2-(1,4-diazepan-1-ylmethyl)-1,3-thiazole;dihydrochloride
CID 119906320
1-but-2-ynyl-2-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 115773580
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-methylpiperidin-4-amine
CID 119923466
3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]imidazolidine-2,4-dione
CID 99781601
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 119917529
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5-methyl-2,3-dihydroindol-6-amine
CID 83209888
3-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5-methyl-1,2,4-triazol-3-yl]benzonitrile
CID 75378703
3-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-5-propan-2-yl-1,2,4-oxadiazole
CID 115773617
2-[[3-(bromomethyl)pyrrolidin-1-yl]methyl]-4-tert-butyl-1,3-thiazole
CID 80690042
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylpyrrolidin-3-ol
CID 103748001

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 4-tert-butyl-2-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-1,3-thiazole (CID 116626719) is 4-tert-butyl-2-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 4-tert-butyl-2-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 4-tert-butyl-2-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-1,3-thiazole is Cc1nc2c(n1Cc1nc(C(C)(C)C)cs1)CCCC2.
What is the InChIKey of 4-tert-butyl-2-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-1,3-thiazole?
The InChIKey is SZUKYUICVLTWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-11-17-12-7-5-6-8-13(12)19(11)9-15-18-14(10-20-15)16(2,3)4/h10H,5-9H2,1-4H3.
What are the key properties of 4-tert-butyl-2-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-1,3-thiazole?
4-tert-butyl-2-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-1,3-thiazole has a molecular weight of 289.45 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 116626719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).