1-tert-butylbenzimidazole;2-tert-butyl-1H-benzimidazole;6-tert-butyl-1H-benzimidazole;1-tert-butyl-4-chloroimidazole;5-tert-butyl-2-chloro-1H-imidazole;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole

C68H100Cl2N16 — CID 158111305

IUPAC1-tert-butylbenzimidazole;2-tert-butyl-1H-benzimidazole;6-tert-butyl-1H-benzimidazole;1-tert-butyl-4-chloroimidazole;5-tert-butyl-2-chloro-1H-imidazole;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole
SMILESCC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1cnc(Cl)[nH]1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1nc2ccccc2[nH]1.CC(C)(C)c1ncc[nH]1.CC(C)(C)n1ccnc1.CC(C)(C)n1cnc(Cl)c1.CC(C)(C)n1cnc2ccccc21
InChIInChI=1S/3C11H14N2.2C7H11ClN2.3C7H12N2/c1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)13-8-12-9-6-4-5-7-10(9)13;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-7(2,3)10-4-6(8)9-5-10;1-7(2,3)5-4-9-6(8)10-5;1-7(2,3)6-4-8-5-9-6;1-7(2,3)9-5-4-8-6-9;1-7(2,3)6-8-4-5-9-6/h4-7H,1-3H3,(H,12,13);4-8H,1-3H3;4-7H,1-3H3,(H,12,13);4-5H,1-3H3;4H,1-3H3,(H,9,10);4-5H,1-3H3,(H,8,9);4-6H,1-3H3;4-5H,1-3H3,(H,8,9)
InChIKeyFQLTXIJDTCQDBO-UHFFFAOYSA-N
MW1212.57 g/mol
LogP18.22
Rot. Bonds

About 1-tert-butylbenzimidazole;2-tert-butyl-1H-benzimidazole;6-tert-butyl-1H-benzimidazole;1-tert-butyl-4-chloroimidazole;5-tert-butyl-2-chloro-1H-imidazole;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole

1-tert-butylbenzimidazole;2-tert-butyl-1H-benzimidazole;6-tert-butyl-1H-benzimidazole;1-tert-butyl-4-chloroimidazole;5-tert-butyl-2-chloro-1H-imidazole;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole (PubChem CID 158111305) has the molecular formula C68H100Cl2N16 and a molecular weight of 1212.57 g/mol. Its IUPAC name is 1-tert-butylbenzimidazole;2-tert-butyl-1H-benzimidazole;6-tert-butyl-1H-benzimidazole;1-tert-butyl-4-chloroimidazole;5-tert-butyl-2-chloro-1H-imidazole;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole.

Molecular Properties

Compound Name1-tert-butylbenzimidazole;2-tert-butyl-1H-benzimidazole;6-tert-butyl-1H-benzimidazole;1-tert-butyl-4-chloroimidazole;5-tert-butyl-2-chloro-1H-imidazole;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole
PubChem CID158111305
Molecular FormulaC68H100Cl2N16
Molecular Weight1212.57 g/mol
Exact Mass1210.77
IUPAC Name1-tert-butylbenzimidazole;2-tert-butyl-1H-benzimidazole;6-tert-butyl-1H-benzimidazole;1-tert-butyl-4-chloroimidazole;5-tert-butyl-2-chloro-1H-imidazole;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole
SMILESCC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1cnc(Cl)[nH]1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1nc2ccccc2[nH]1.CC(C)(C)c1ncc[nH]1.CC(C)(C)n1ccnc1.CC(C)(C)n1cnc(Cl)c1.CC(C)(C)n1cnc2ccccc21
InChIInChI=1S/3C11H14N2.2C7H11ClN2.3C7H12N2/c1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)13-8-12-9-6-4-5-7-10(9)13;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-7(2,3)10-4-6(8)9-5-10;1-7(2,3)5-4-9-6(8)10-5;1-7(2,3)6-4-8-5-9-6;1-7(2,3)9-5-4-8-6-9;1-7(2,3)6-8-4-5-9-6/h4-7H,1-3H3,(H,12,13);4-8H,1-3H3;4-7H,1-3H3,(H,12,13);4-5H,1-3H3;4H,1-3H3,(H,9,10);4-5H,1-3H3,(H,8,9);4-6H,1-3H3;4-5H,1-3H3,(H,8,9)
InChIKeyFQLTXIJDTCQDBO-UHFFFAOYSA-N
XLogP18.22
TPSA196.86 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001212.57
LogP ≤ 518.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze 1-tert-butylbenzimidazole;2-tert-butyl-1H-benzimidazole;6-tert-butyl-1H-benzimidazole;1-tert-butyl-4-chloroimidazole;5-tert-butyl-2-chloro-1H-imidazole;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole with MolForge

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Launch Full Analysis

Related Compounds

1-(3H-benzimidazol-5-yl)benzimidazole
CID 67657705
1-tert-butylbenzimidazole;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butylfuro[3,2-b]pyridine;2-tert-butylimidazo[1,2-a]pyridine
CID 158953604
2-[2-(1H-benzimidazol-2-yl)propan-2-yl]-1H-benzimidazole
CID 66628016
1-tert-butylbenzimidazole;2-tert-butyl-1H-benzimidazole;bis(5-tert-butyl-2H-benzimidazole);6-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;5-tert-butylfuro[3,2-b]pyridine;2-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-indole;5-tert-butylpyrazolo[1,5-a]pyridine
CID 159741600
2-(1H-benzimidazol-2-yl)-6-(3H-benzimidazol-5-yl)-1H-benzimidazole
CID 11508555
potassium;5-tert-butyl-1H-imidazole;carbanide;methane
CID 162271210
1H-benzimidazole;zinc
CID 162235320
2-(3H-benzimidazol-5-yl)quinoxaline
CID 126589483
3H-benzimidazole-5-carboxamide;2-methoxy-1H-benzimidazole
CID 161258178
2-(4-tert-butylphenyl)-1H-benzimidazole;2-(4-tert-butylphenyl)-1-methylbenzimidazole;iodomethane;methane
CID 159522352
1H-benzimidazole;1-(3-bromophenyl)benzimidazole;1,3-dibromobenzene
CID 162220915
2-tert-butyl-N-methoxy-3H-benzimidazol-5-amine
CID 155399354

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylbenzimidazole;2-tert-butyl-1H-benzimidazole;6-tert-butyl-1H-benzimidazole;1-tert-butyl-4-chloroimidazole;5-tert-butyl-2-chloro-1H-imidazole;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole?
The IUPAC name of 1-tert-butylbenzimidazole;2-tert-butyl-1H-benzimidazole;6-tert-butyl-1H-benzimidazole;1-tert-butyl-4-chloroimidazole;5-tert-butyl-2-chloro-1H-imidazole;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole (CID 158111305) is 1-tert-butylbenzimidazole;2-tert-butyl-1H-benzimidazole;6-tert-butyl-1H-benzimidazole;1-tert-butyl-4-chloroimidazole;5-tert-butyl-2-chloro-1H-imidazole;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole.
What is the SMILES notation for 1-tert-butylbenzimidazole;2-tert-butyl-1H-benzimidazole;6-tert-butyl-1H-benzimidazole;1-tert-butyl-4-chloroimidazole;5-tert-butyl-2-chloro-1H-imidazole;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole?
The canonical SMILES for 1-tert-butylbenzimidazole;2-tert-butyl-1H-benzimidazole;6-tert-butyl-1H-benzimidazole;1-tert-butyl-4-chloroimidazole;5-tert-butyl-2-chloro-1H-imidazole;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole is CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1cnc(Cl)[nH]1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1nc2ccccc2[nH]1.CC(C)(C)c1ncc[nH]1.CC(C)(C)n1ccnc1.CC(C)(C)n1cnc(Cl)c1.CC(C)(C)n1cnc2ccccc21.
What is the InChIKey of 1-tert-butylbenzimidazole;2-tert-butyl-1H-benzimidazole;6-tert-butyl-1H-benzimidazole;1-tert-butyl-4-chloroimidazole;5-tert-butyl-2-chloro-1H-imidazole;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole?
The InChIKey is FQLTXIJDTCQDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/3C11H14N2.2C7H11ClN2.3C7H12N2/c1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)13-8-12-9-6-4-5-7-10(9)13;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-7(2,3)10-4-6(8)9-5-10;1-7(2,3)5-4-9-6(8)10-5;1-7(2,3)6-4-8-5-9-6;1-7(2,3)9-5-4-8-6-9;1-7(2,3)6-8-4-5-9-6/h4-7H,1-3H3,(H,12,13);4-8H,1-3H3;4-7H,1-3H3,(H,12,13);4-5H,1-3H3;4H,1-3H3,(H,9,10);4-5H,1-3H3,(H,8,9);4-6H,1-3H3;4-5H,1-3H3,(H,8,9).
What are the key properties of 1-tert-butylbenzimidazole;2-tert-butyl-1H-benzimidazole;6-tert-butyl-1H-benzimidazole;1-tert-butyl-4-chloroimidazole;5-tert-butyl-2-chloro-1H-imidazole;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole?
1-tert-butylbenzimidazole;2-tert-butyl-1H-benzimidazole;6-tert-butyl-1H-benzimidazole;1-tert-butyl-4-chloroimidazole;5-tert-butyl-2-chloro-1H-imidazole;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole has a molecular weight of 1212.57 g/mol, XLogP of 18.22, 0 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylbenzimidazole;2-tert-butyl-1H-benzimidazole;6-tert-butyl-1H-benzimidazole;1-tert-butyl-4-chloroimidazole;5-tert-butyl-2-chloro-1H-imidazole;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole is sourced from PubChem (CID 158111305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).