6-tert-butyl-1H-benzimidazole;5-tert-butyl-1H-imidazole;5-tert-butyl-1,3-oxazole;2-tert-butylpyridine;2-tert-butyl-1H-pyrrole

C42H63N7O — CID 159439997

IUPAC6-tert-butyl-1H-benzimidazole;5-tert-butyl-1H-imidazole;5-tert-butyl-1,3-oxazole;2-tert-butylpyridine;2-tert-butyl-1H-pyrrole
SMILESCC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1ccc[nH]1.CC(C)(C)c1ccccn1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cnco1
InChIInChI=1S/C11H14N2.C9H13N.C8H13N.C7H12N2.C7H11NO/c1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-5-4-6-9-7;2*1-7(2,3)6-4-8-5-9-6/h4-7H,1-3H3,(H,12,13);4-7H,1-3H3;4-6,9H,1-3H3;4-5H,1-3H3,(H,8,9);4-5H,1-3H3
InChIKeyLSAXEXYYIFOPGT-UHFFFAOYSA-N
MW682.01 g/mol
LogP11.23
Rot. Bonds

About 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1H-imidazole;5-tert-butyl-1,3-oxazole;2-tert-butylpyridine;2-tert-butyl-1H-pyrrole

6-tert-butyl-1H-benzimidazole;5-tert-butyl-1H-imidazole;5-tert-butyl-1,3-oxazole;2-tert-butylpyridine;2-tert-butyl-1H-pyrrole (PubChem CID 159439997) has the molecular formula C42H63N7O and a molecular weight of 682.01 g/mol. Its IUPAC name is 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1H-imidazole;5-tert-butyl-1,3-oxazole;2-tert-butylpyridine;2-tert-butyl-1H-pyrrole.

Molecular Properties

Compound Name6-tert-butyl-1H-benzimidazole;5-tert-butyl-1H-imidazole;5-tert-butyl-1,3-oxazole;2-tert-butylpyridine;2-tert-butyl-1H-pyrrole
PubChem CID159439997
Molecular FormulaC42H63N7O
Molecular Weight682.01 g/mol
Exact Mass681.51
IUPAC Name6-tert-butyl-1H-benzimidazole;5-tert-butyl-1H-imidazole;5-tert-butyl-1,3-oxazole;2-tert-butylpyridine;2-tert-butyl-1H-pyrrole
SMILESCC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1ccc[nH]1.CC(C)(C)c1ccccn1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cnco1
InChIInChI=1S/C11H14N2.C9H13N.C8H13N.C7H12N2.C7H11NO/c1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-5-4-6-9-7;2*1-7(2,3)6-4-8-5-9-6/h4-7H,1-3H3,(H,12,13);4-7H,1-3H3;4-6,9H,1-3H3;4-5H,1-3H3,(H,8,9);4-5H,1-3H3
InChIKeyLSAXEXYYIFOPGT-UHFFFAOYSA-N
XLogP11.23
TPSA112.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.01
LogP ≤ 511.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1H-imidazole;5-tert-butyl-1,3-oxazole;2-tert-butylpyridine;2-tert-butyl-1H-pyrrole with MolForge

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Launch Full Analysis

Related Compounds

N-[5-[[[(2S)-3,3-dimethylbutan-2-yl]amino]methyl]-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-1,3-oxazole-5-carboxamide
CID 134277645
N-methyl-5-[[7-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzimidazol-1-yl]methyl]-1,3-oxazol-2-amine
CID 58217329
N-(1H-benzimidazol-2-ylmethyl)-4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-amine
CID 59011530
6-[6-(4-Fluorophenyl)-imidazo[2,1-b]oxazol-5-yl]-2-pyridin-4-yl-1H-benzimidazole
CID 59457791
1-(2,2-Dimethylpropyl)-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]benzimidazol-2-amine
CID 59457834
4-(3-aminopyrrolidin-1-yl)-6-fluoro-N-methyl-2-[(1,3-oxazol-5-ylmethylamino)methyl]-9H-pyrimido[4,5-b]indol-8-amine
CID 121315491
6-(4-fluorophenyl)-5-(1-hydroxy-2-pyridin-4-yl-3H-benzimidazol-1-ium-5-yl)imidazo[2,1-b][1,3]oxazole
CID 136504818
5-(2,2-Dimethyl-1,3-dihydroimidazo[1,2-a]benzimidazol-7-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole
CID 136504841
5-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,3-oxazole
CID 139553690
6-[6-(4-Fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-1-(2-methylpropyl)benzimidazol-2-amine
CID 141490965
1-Tert-butyl-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]benzimidazol-2-amine
CID 141490969
N-isopropyl-2-[2-[6-(N-isopropylcarbamimidoyl)-1H-benzimidazol-2-yl]oxazol-5-yl]-3H-benzimidazole-5-carboxamidine
CID 473274

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1H-imidazole;5-tert-butyl-1,3-oxazole;2-tert-butylpyridine;2-tert-butyl-1H-pyrrole?
The IUPAC name of 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1H-imidazole;5-tert-butyl-1,3-oxazole;2-tert-butylpyridine;2-tert-butyl-1H-pyrrole (CID 159439997) is 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1H-imidazole;5-tert-butyl-1,3-oxazole;2-tert-butylpyridine;2-tert-butyl-1H-pyrrole.
What is the SMILES notation for 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1H-imidazole;5-tert-butyl-1,3-oxazole;2-tert-butylpyridine;2-tert-butyl-1H-pyrrole?
The canonical SMILES for 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1H-imidazole;5-tert-butyl-1,3-oxazole;2-tert-butylpyridine;2-tert-butyl-1H-pyrrole is CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1ccc[nH]1.CC(C)(C)c1ccccn1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cnco1.
What is the InChIKey of 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1H-imidazole;5-tert-butyl-1,3-oxazole;2-tert-butylpyridine;2-tert-butyl-1H-pyrrole?
The InChIKey is LSAXEXYYIFOPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2.C9H13N.C8H13N.C7H12N2.C7H11NO/c1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-5-4-6-9-7;2*1-7(2,3)6-4-8-5-9-6/h4-7H,1-3H3,(H,12,13);4-7H,1-3H3;4-6,9H,1-3H3;4-5H,1-3H3,(H,8,9);4-5H,1-3H3.
What are the key properties of 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1H-imidazole;5-tert-butyl-1,3-oxazole;2-tert-butylpyridine;2-tert-butyl-1H-pyrrole?
6-tert-butyl-1H-benzimidazole;5-tert-butyl-1H-imidazole;5-tert-butyl-1,3-oxazole;2-tert-butylpyridine;2-tert-butyl-1H-pyrrole has a molecular weight of 682.01 g/mol, XLogP of 11.23, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1H-imidazole;5-tert-butyl-1,3-oxazole;2-tert-butylpyridine;2-tert-butyl-1H-pyrrole is sourced from PubChem (CID 159439997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).