4-(2-amino-5-tert-butyl-1H-imidazol-4-yl)phenol;2-tert-butylcyclohexan-1-one;2-tert-butylfuran;1-tert-butyl-4-methylbenzene;3-tert-butyl-1-methylindole;5-tert-butyl-4-(4-methylphenyl)-1H-imidazol-2-amine;5-tert-butyl-1H-pyrazole;2-tert-butyl-1H-pyrrole;4,4-dimethylpent-1-ene;ethane

C105H180N10O3 — CID 158508916

IUPAC4-(2-amino-5-tert-butyl-1H-imidazol-4-yl)phenol;2-tert-butylcyclohexan-1-one;2-tert-butylfuran;1-tert-butyl-4-methylbenzene;3-tert-butyl-1-methylindole;5-tert-butyl-4-(4-methylphenyl)-1H-imidazol-2-amine;5-tert-butyl-1H-pyrazole;2-tert-butyl-1H-pyrrole;4,4-dimethylpent-1-ene;ethane
SMILESC=CCC(C)(C)C.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C1CCCCC1=O.CC(C)(C)c1[nH]c(N)nc1-c1ccc(O)cc1.CC(C)(C)c1ccc[nH]1.CC(C)(C)c1ccco1.CC(C)(C)c1ccn[nH]1.Cc1ccc(-c2nc(N)[nH]c2C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cn1cc(C(C)(C)C)c2ccccc21
InChIInChI=1S/C14H19N3.C13H17N3O.C13H17N.C11H16.C10H18O.C8H13N.C8H12O.C7H12N2.C7H14.7C2H6/c1-9-5-7-10(8-6-9)11-12(14(2,3)4)17-13(15)16-11;1-13(2,3)11-10(15-12(14)16-11)8-4-6-9(17)7-5-8;1-13(2,3)11-9-14(4)12-8-6-5-7-10(11)12;1-9-5-7-10(8-6-9)11(2,3)4;1-10(2,3)8-6-4-5-7-9(8)11;2*1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-5-8-9-6;1-5-6-7(2,3)4;7*1-2/h5-8H,1-4H3,(H3,15,16,17);4-7,17H,1-3H3,(H3,14,15,16);5-9H,1-4H3;5-8H,1-4H3;8H,4-7H2,1-3H3;4-6,9H,1-3H3;4-6H,1-3H3;4-5H,1-3H3,(H,8,9);5H,1,6H2,2-4H3;7*1-2H3
InChIKeyHKUPNJOTVGOILP-UHFFFAOYSA-N
MW1630.66 g/mol
LogP31.88
Rot. Bonds3

About 4-(2-amino-5-tert-butyl-1H-imidazol-4-yl)phenol;2-tert-butylcyclohexan-1-one;2-tert-butylfuran;1-tert-butyl-4-methylbenzene;3-tert-butyl-1-methylindole;5-tert-butyl-4-(4-methylphenyl)-1H-imidazol-2-amine;5-tert-butyl-1H-pyrazole;2-tert-butyl-1H-pyrrole;4,4-dimethylpent-1-ene;ethane

4-(2-amino-5-tert-butyl-1H-imidazol-4-yl)phenol;2-tert-butylcyclohexan-1-one;2-tert-butylfuran;1-tert-butyl-4-methylbenzene;3-tert-butyl-1-methylindole;5-tert-butyl-4-(4-methylphenyl)-1H-imidazol-2-amine;5-tert-butyl-1H-pyrazole;2-tert-butyl-1H-pyrrole;4,4-dimethylpent-1-ene;ethane (PubChem CID 158508916) has the molecular formula C105H180N10O3 and a molecular weight of 1630.66 g/mol. Its IUPAC name is 4-(2-amino-5-tert-butyl-1H-imidazol-4-yl)phenol;2-tert-butylcyclohexan-1-one;2-tert-butylfuran;1-tert-butyl-4-methylbenzene;3-tert-butyl-1-methylindole;5-tert-butyl-4-(4-methylphenyl)-1H-imidazol-2-amine;5-tert-butyl-1H-pyrazole;2-tert-butyl-1H-pyrrole;4,4-dimethylpent-1-ene;ethane.

Molecular Properties

Compound Name4-(2-amino-5-tert-butyl-1H-imidazol-4-yl)phenol;2-tert-butylcyclohexan-1-one;2-tert-butylfuran;1-tert-butyl-4-methylbenzene;3-tert-butyl-1-methylindole;5-tert-butyl-4-(4-methylphenyl)-1H-imidazol-2-amine;5-tert-butyl-1H-pyrazole;2-tert-butyl-1H-pyrrole;4,4-dimethylpent-1-ene;ethane
PubChem CID158508916
Molecular FormulaC105H180N10O3
Molecular Weight1630.66 g/mol
Exact Mass1629.42
IUPAC Name4-(2-amino-5-tert-butyl-1H-imidazol-4-yl)phenol;2-tert-butylcyclohexan-1-one;2-tert-butylfuran;1-tert-butyl-4-methylbenzene;3-tert-butyl-1-methylindole;5-tert-butyl-4-(4-methylphenyl)-1H-imidazol-2-amine;5-tert-butyl-1H-pyrazole;2-tert-butyl-1H-pyrrole;4,4-dimethylpent-1-ene;ethane
SMILESC=CCC(C)(C)C.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C1CCCCC1=O.CC(C)(C)c1[nH]c(N)nc1-c1ccc(O)cc1.CC(C)(C)c1ccc[nH]1.CC(C)(C)c1ccco1.CC(C)(C)c1ccn[nH]1.Cc1ccc(-c2nc(N)[nH]c2C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cn1cc(C(C)(C)C)c2ccccc21
InChIInChI=1S/C14H19N3.C13H17N3O.C13H17N.C11H16.C10H18O.C8H13N.C8H12O.C7H12N2.C7H14.7C2H6/c1-9-5-7-10(8-6-9)11-12(14(2,3)4)17-13(15)16-11;1-13(2,3)11-10(15-12(14)16-11)8-4-6-9(17)7-5-8;1-13(2,3)11-9-14(4)12-8-6-5-7-10(11)12;1-9-5-7-10(8-6-9)11(2,3)4;1-10(2,3)8-6-4-5-7-9(8)11;2*1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-5-8-9-6;1-5-6-7(2,3)4;7*1-2/h5-8H,1-4H3,(H3,15,16,17);4-7,17H,1-3H3,(H3,14,15,16);5-9H,1-4H3;5-8H,1-4H3;8H,4-7H2,1-3H3;4-6,9H,1-3H3;4-6H,1-3H3;4-5H,1-3H3,(H,8,9);5H,1,6H2,2-4H3;7*1-2H3
InChIKeyHKUPNJOTVGOILP-UHFFFAOYSA-N
XLogP31.88
TPSA209.24 Ų
H-Bond Donors7
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001630.66
LogP ≤ 531.88
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[9-[2-[[4-[[(3S,6S,12S,15S,21S,24S,27S)-27-carbamoyl-24-[(4-hydroxyphenyl)methyl]-15-(1H-imidazol-4-ylmethyl)-6-(1H-indol-3-ylmethyl)-4,7,13,16,22,25-hexaoxo-5,8,14,17,23,26,32,33,34-nonazatetracyclo[30.2.1.08,12.017,21]pentatriaconta-1(35),33-dien-3-yl]amino]-4-oxobutyl]-methylcarbamoyl]phenyl]-6-(diethylamino)xanthen-3-ylidene]-diethylazanium
CID 156019621
3-(3-methoxypropyl)-1-benzofuran;3-(3-methoxypropyl)-2H-indazole;3-(3-methoxypropyl)-1-methylindazole;3-(3-methoxypropyl)-2-methylindazole;1-(3-methoxypropyl)-3-methylindole;1-(3-methoxypropyl)-2-(trifluoromethyl)benzimidazole
CID 157481716
4-bromo-5-propan-2-yl-1H-imidazole;1-but-3-yn-2-yl-3-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1-(2,2-difluoroethyl)-5-methyl-3-propan-2-ylpyrazole;5-(1,1-difluoroethyl)-1-methyl-3-propan-2-ylpyrazole;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;1,2-difluoro-3-propan-2-ylbenzene;1,5-dimethyl-3-propan-2-ylpyrazole;methane;2-methoxy-1-methyl-3-propan-2-ylbenzene;bis(4-methyl-2-propan-2-yl-1H-pyrrole);1-phenyl-2-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;3-phenyl-5-propan-2-yl-1H-pyrazole;2-propan-2-ylfuran;1-[(5-propan-2-ylfuran-2-yl)methyl]pyrazole;2-propan-2-yl-1H-indole;2-propan-2-ylphenol;(2-propan-2-ylphenyl)methanol;1-propan-2-yl-3-propan-2-yloxybenzene
CID 162268760
N-[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-7-[4-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-benzimidazol-4-yl]furan-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 137099571
N-[5-[7-[4-[2-[2-amino-5-[5-[(dimethylamino)methyl]-3-pyridinyl]benzenecarboximidoyl]-3H-imidazo[4,5-c]pyridin-7-yl]furan-3-yl]-3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide
CID 137106980
N-[2-(dimethylamino)ethyl]-4-[5-[2-[4-[[3-[1-[3-[4-[5-[2-[4-[3-(dimethylamino)propoxy]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]anilino]propyl]triazol-4-yl]phenyl]carbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide
CID 138618305
4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]-N-[3-[1-[3-[[4-[5-[2-[4-[3-(dimethylamino)propoxy]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]propyl]triazol-4-yl]propyl]benzamide
CID 138648910
4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-3H-indol-2-yl]-N-[3-[1-[3-[[4-[5-[2-[4-[3-(dimethylamino)propoxy]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]propyl]triazol-4-yl]propyl]benzamide
CID 138649305
N-[3-[4-[3-[[4-[5-[2-[4-[[2-(dimethylamino)ethylamino]-hydroxymethyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]phenyl]triazol-1-yl]propyl]-4-[5-[2-[4-[3-(dimethylamino)propoxy]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide
CID 138650016
N-[3-[4-[3-[[4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]phenyl]triazol-1-yl]propyl]-4-[5-[2-[4-[3-(dimethylamino)propoxy]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide
CID 138650080
2-(1H-benzimidazol-2-yl)-2-(2-benzofuran-1-yl)-6-(1H-indol-2-yl)-8-(2H-isoindol-1-yl)-1-(1H-pyrazol-5-yl)-7H-purine
CID 141080139
4-[6-(1H-benzimidazol-2-yl)-7-dibenzofuran-1-yl-4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-1H-indazol-5-yl]-1H-benzotriazole
CID 141113485

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-5-tert-butyl-1H-imidazol-4-yl)phenol;2-tert-butylcyclohexan-1-one;2-tert-butylfuran;1-tert-butyl-4-methylbenzene;3-tert-butyl-1-methylindole;5-tert-butyl-4-(4-methylphenyl)-1H-imidazol-2-amine;5-tert-butyl-1H-pyrazole;2-tert-butyl-1H-pyrrole;4,4-dimethylpent-1-ene;ethane?
The IUPAC name of 4-(2-amino-5-tert-butyl-1H-imidazol-4-yl)phenol;2-tert-butylcyclohexan-1-one;2-tert-butylfuran;1-tert-butyl-4-methylbenzene;3-tert-butyl-1-methylindole;5-tert-butyl-4-(4-methylphenyl)-1H-imidazol-2-amine;5-tert-butyl-1H-pyrazole;2-tert-butyl-1H-pyrrole;4,4-dimethylpent-1-ene;ethane (CID 158508916) is 4-(2-amino-5-tert-butyl-1H-imidazol-4-yl)phenol;2-tert-butylcyclohexan-1-one;2-tert-butylfuran;1-tert-butyl-4-methylbenzene;3-tert-butyl-1-methylindole;5-tert-butyl-4-(4-methylphenyl)-1H-imidazol-2-amine;5-tert-butyl-1H-pyrazole;2-tert-butyl-1H-pyrrole;4,4-dimethylpent-1-ene;ethane.
What is the SMILES notation for 4-(2-amino-5-tert-butyl-1H-imidazol-4-yl)phenol;2-tert-butylcyclohexan-1-one;2-tert-butylfuran;1-tert-butyl-4-methylbenzene;3-tert-butyl-1-methylindole;5-tert-butyl-4-(4-methylphenyl)-1H-imidazol-2-amine;5-tert-butyl-1H-pyrazole;2-tert-butyl-1H-pyrrole;4,4-dimethylpent-1-ene;ethane?
The canonical SMILES for 4-(2-amino-5-tert-butyl-1H-imidazol-4-yl)phenol;2-tert-butylcyclohexan-1-one;2-tert-butylfuran;1-tert-butyl-4-methylbenzene;3-tert-butyl-1-methylindole;5-tert-butyl-4-(4-methylphenyl)-1H-imidazol-2-amine;5-tert-butyl-1H-pyrazole;2-tert-butyl-1H-pyrrole;4,4-dimethylpent-1-ene;ethane is C=CCC(C)(C)C.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C1CCCCC1=O.CC(C)(C)c1[nH]c(N)nc1-c1ccc(O)cc1.CC(C)(C)c1ccc[nH]1.CC(C)(C)c1ccco1.CC(C)(C)c1ccn[nH]1.Cc1ccc(-c2nc(N)[nH]c2C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cn1cc(C(C)(C)C)c2ccccc21.
What is the InChIKey of 4-(2-amino-5-tert-butyl-1H-imidazol-4-yl)phenol;2-tert-butylcyclohexan-1-one;2-tert-butylfuran;1-tert-butyl-4-methylbenzene;3-tert-butyl-1-methylindole;5-tert-butyl-4-(4-methylphenyl)-1H-imidazol-2-amine;5-tert-butyl-1H-pyrazole;2-tert-butyl-1H-pyrrole;4,4-dimethylpent-1-ene;ethane?
The InChIKey is HKUPNJOTVGOILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3.C13H17N3O.C13H17N.C11H16.C10H18O.C8H13N.C8H12O.C7H12N2.C7H14.7C2H6/c1-9-5-7-10(8-6-9)11-12(14(2,3)4)17-13(15)16-11;1-13(2,3)11-10(15-12(14)16-11)8-4-6-9(17)7-5-8;1-13(2,3)11-9-14(4)12-8-6-5-7-10(11)12;1-9-5-7-10(8-6-9)11(2,3)4;1-10(2,3)8-6-4-5-7-9(8)11;2*1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-5-8-9-6;1-5-6-7(2,3)4;7*1-2/h5-8H,1-4H3,(H3,15,16,17);4-7,17H,1-3H3,(H3,14,15,16);5-9H,1-4H3;5-8H,1-4H3;8H,4-7H2,1-3H3;4-6,9H,1-3H3;4-6H,1-3H3;4-5H,1-3H3,(H,8,9);5H,1,6H2,2-4H3;7*1-2H3.
What are the key properties of 4-(2-amino-5-tert-butyl-1H-imidazol-4-yl)phenol;2-tert-butylcyclohexan-1-one;2-tert-butylfuran;1-tert-butyl-4-methylbenzene;3-tert-butyl-1-methylindole;5-tert-butyl-4-(4-methylphenyl)-1H-imidazol-2-amine;5-tert-butyl-1H-pyrazole;2-tert-butyl-1H-pyrrole;4,4-dimethylpent-1-ene;ethane?
4-(2-amino-5-tert-butyl-1H-imidazol-4-yl)phenol;2-tert-butylcyclohexan-1-one;2-tert-butylfuran;1-tert-butyl-4-methylbenzene;3-tert-butyl-1-methylindole;5-tert-butyl-4-(4-methylphenyl)-1H-imidazol-2-amine;5-tert-butyl-1H-pyrazole;2-tert-butyl-1H-pyrrole;4,4-dimethylpent-1-ene;ethane has a molecular weight of 1630.66 g/mol, XLogP of 31.88, 3 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-5-tert-butyl-1H-imidazol-4-yl)phenol;2-tert-butylcyclohexan-1-one;2-tert-butylfuran;1-tert-butyl-4-methylbenzene;3-tert-butyl-1-methylindole;5-tert-butyl-4-(4-methylphenyl)-1H-imidazol-2-amine;5-tert-butyl-1H-pyrazole;2-tert-butyl-1H-pyrrole;4,4-dimethylpent-1-ene;ethane is sourced from PubChem (CID 158508916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).