1-methyl-6-propan-2-ylindazole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;1-(6-propan-2-yl-2,3-dihydroindol-1-yl)ethanone;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole

C77H95N7O5 — CID 158267191

IUPAC1-methyl-6-propan-2-ylindazole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;1-(6-propan-2-yl-2,3-dihydroindol-1-yl)ethanone;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole
SMILESCC(=O)N1CCc2ccc(C(C)C)cc21.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2c(c1)OCCO2.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc2cnn(C)c2c1.CC(C)c1ccc2nc[nH]c2c1
InChIInChI=1S/C13H17NO.C11H14N2.2C11H13N.C11H14O2.C10H12N2.C10H12O2/c1-9(2)12-5-4-11-6-7-14(10(3)15)13(11)8-12;1-8(2)9-4-5-10-7-12-13(3)11(10)6-9;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9/h4-5,8-9H,6-7H2,1-3H3;4-8H,1-3H3;2*3-8,12H,1-2H3;3-4,7-8H,5-6H2,1-2H3;3-7H,1-2H3,(H,11,12);3-5,7H,6H2,1-2H3
InChIKeyGIPBVZZZMLLVLQ-UHFFFAOYSA-N
MW1198.65 g/mol
LogP19.80
Rot. Bonds7

About 1-methyl-6-propan-2-ylindazole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;1-(6-propan-2-yl-2,3-dihydroindol-1-yl)ethanone;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole

1-methyl-6-propan-2-ylindazole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;1-(6-propan-2-yl-2,3-dihydroindol-1-yl)ethanone;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole (PubChem CID 158267191) has the molecular formula C77H95N7O5 and a molecular weight of 1198.65 g/mol. Its IUPAC name is 1-methyl-6-propan-2-ylindazole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;1-(6-propan-2-yl-2,3-dihydroindol-1-yl)ethanone;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole.

Molecular Properties

Compound Name1-methyl-6-propan-2-ylindazole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;1-(6-propan-2-yl-2,3-dihydroindol-1-yl)ethanone;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole
PubChem CID158267191
Molecular FormulaC77H95N7O5
Molecular Weight1198.65 g/mol
Exact Mass1197.74
IUPAC Name1-methyl-6-propan-2-ylindazole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;1-(6-propan-2-yl-2,3-dihydroindol-1-yl)ethanone;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole
SMILESCC(=O)N1CCc2ccc(C(C)C)cc21.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2c(c1)OCCO2.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc2cnn(C)c2c1.CC(C)c1ccc2nc[nH]c2c1
InChIInChI=1S/C13H17NO.C11H14N2.2C11H13N.C11H14O2.C10H12N2.C10H12O2/c1-9(2)12-5-4-11-6-7-14(10(3)15)13(11)8-12;1-8(2)9-4-5-10-7-12-13(3)11(10)6-9;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9/h4-5,8-9H,6-7H2,1-3H3;4-8H,1-3H3;2*3-8,12H,1-2H3;3-4,7-8H,5-6H2,1-2H3;3-7H,1-2H3,(H,11,12);3-5,7H,6H2,1-2H3
InChIKeyGIPBVZZZMLLVLQ-UHFFFAOYSA-N
XLogP19.80
TPSA135.31 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001198.65
LogP ≤ 519.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-methyl-6-propan-2-ylindazole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;1-(6-propan-2-yl-2,3-dihydroindol-1-yl)ethanone;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole with MolForge

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Related Compounds

methyl N-[(2S)-1-[(2S)-2-[5-[3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-6-[3-(1H-pyrazol-4-yl)phenyl]-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 127048246
methyl N-[(2S)-1-[(2S)-2-[5-[3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-6-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 127052942
1-[6-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-(3-hydroxy-4-methoxyphenyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(4-methoxy-3-phenylmethoxyphenyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea
CID 157208681
1-[6-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-(4-methoxy-3-phenylmethoxyphenyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(6-methoxy-3-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea
CID 157723942
1-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-(3-hydroxy-4-methoxyphenyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(4-methoxy-3-phenylmethoxyphenyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-pyrazol-1-yl-6-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-1H-benzimidazol-2-yl]urea
CID 157725300
1-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-(3-hydroxy-4-methoxyphenyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-pyrazol-1-yl-6-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-1H-benzimidazol-2-yl]urea
CID 158202311
5,7-dimethyl-1H-indole;6-methyl-1H-benzimidazole;5-methyl-1,3-benzodioxole;5-methyl-2H-benzotriazole;5-methyl-1,3-dihydroindol-2-one;6-methylquinoline;6-methyl-1,2,3,4-tetrahydroquinoline;5-methyl-3-(trifluoromethyl)-2H-indazole
CID 160697140
1-[6-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-(5-fluoro-4-pyrazol-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea;1-ethyl-3-[6-(6-methoxy-3-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(2-methoxypyrimidin-5-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea
CID 161131110
1-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(6-ethoxy-3-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[4-pyrazol-1-yl-6-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-1H-benzimidazol-2-yl]urea
CID 162130756
1-[6-(1,3-benzodioxol-5-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea
CID 11349808
1-ethyl-3-[6-(4-methoxy-3-phenylmethoxyphenyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea
CID 11420277
1-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea
CID 11452453

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-propan-2-ylindazole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;1-(6-propan-2-yl-2,3-dihydroindol-1-yl)ethanone;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole?
The IUPAC name of 1-methyl-6-propan-2-ylindazole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;1-(6-propan-2-yl-2,3-dihydroindol-1-yl)ethanone;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole (CID 158267191) is 1-methyl-6-propan-2-ylindazole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;1-(6-propan-2-yl-2,3-dihydroindol-1-yl)ethanone;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole.
What is the SMILES notation for 1-methyl-6-propan-2-ylindazole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;1-(6-propan-2-yl-2,3-dihydroindol-1-yl)ethanone;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole?
The canonical SMILES for 1-methyl-6-propan-2-ylindazole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;1-(6-propan-2-yl-2,3-dihydroindol-1-yl)ethanone;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole is CC(=O)N1CCc2ccc(C(C)C)cc21.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2c(c1)OCCO2.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc2cnn(C)c2c1.CC(C)c1ccc2nc[nH]c2c1.
What is the InChIKey of 1-methyl-6-propan-2-ylindazole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;1-(6-propan-2-yl-2,3-dihydroindol-1-yl)ethanone;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole?
The InChIKey is GIPBVZZZMLLVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO.C11H14N2.2C11H13N.C11H14O2.C10H12N2.C10H12O2/c1-9(2)12-5-4-11-6-7-14(10(3)15)13(11)8-12;1-8(2)9-4-5-10-7-12-13(3)11(10)6-9;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9/h4-5,8-9H,6-7H2,1-3H3;4-8H,1-3H3;2*3-8,12H,1-2H3;3-4,7-8H,5-6H2,1-2H3;3-7H,1-2H3,(H,11,12);3-5,7H,6H2,1-2H3.
What are the key properties of 1-methyl-6-propan-2-ylindazole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;1-(6-propan-2-yl-2,3-dihydroindol-1-yl)ethanone;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole?
1-methyl-6-propan-2-ylindazole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;1-(6-propan-2-yl-2,3-dihydroindol-1-yl)ethanone;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole has a molecular weight of 1198.65 g/mol, XLogP of 19.80, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-propan-2-ylindazole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;1-(6-propan-2-yl-2,3-dihydroindol-1-yl)ethanone;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole is sourced from PubChem (CID 158267191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).