5-methoxy-3-propan-2-yl-1H-indole;6-methyl-3-propan-2-yl-1H-indole;2-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole

C62H78N8O — CID 157436699

IUPAC5-methoxy-3-propan-2-yl-1H-indole;6-methyl-3-propan-2-yl-1H-indole;2-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole
SMILESCC(C)c1c[nH]c2ccccc12.CC(C)c1cc2ccccc2[nH]1.CC(C)c1cnc[nH]1.CC(C)c1nc2ccccc2[nH]1.COc1ccc2[nH]cc(C(C)C)c2c1.Cc1ccc2c(C(C)C)c[nH]c2c1
InChIInChI=1S/C12H15NO.C12H15N.2C11H13N.C10H12N2.C6H10N2/c1-8(2)11-7-13-12-5-4-9(14-3)6-10(11)12;1-8(2)11-7-13-12-6-9(3)4-5-10(11)12;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-5(2)6-3-7-4-8-6/h4-8,13H,1-3H3;4-8,13H,1-3H3;2*3-8,12H,1-2H3;3-7H,1-2H3,(H,11,12);3-5H,1-2H3,(H,7,8)
InChIKeyBREPUMLUNWBVJB-UHFFFAOYSA-N
MW951.36 g/mol
LogP17.70
Rot. Bonds7

About 5-methoxy-3-propan-2-yl-1H-indole;6-methyl-3-propan-2-yl-1H-indole;2-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole

5-methoxy-3-propan-2-yl-1H-indole;6-methyl-3-propan-2-yl-1H-indole;2-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole (PubChem CID 157436699) has the molecular formula C62H78N8O and a molecular weight of 951.36 g/mol. Its IUPAC name is 5-methoxy-3-propan-2-yl-1H-indole;6-methyl-3-propan-2-yl-1H-indole;2-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole.

Molecular Properties

Compound Name5-methoxy-3-propan-2-yl-1H-indole;6-methyl-3-propan-2-yl-1H-indole;2-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole
PubChem CID157436699
Molecular FormulaC62H78N8O
Molecular Weight951.36 g/mol
Exact Mass950.63
IUPAC Name5-methoxy-3-propan-2-yl-1H-indole;6-methyl-3-propan-2-yl-1H-indole;2-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole
SMILESCC(C)c1c[nH]c2ccccc12.CC(C)c1cc2ccccc2[nH]1.CC(C)c1cnc[nH]1.CC(C)c1nc2ccccc2[nH]1.COc1ccc2[nH]cc(C(C)C)c2c1.Cc1ccc2c(C(C)C)c[nH]c2c1
InChIInChI=1S/C12H15NO.C12H15N.2C11H13N.C10H12N2.C6H10N2/c1-8(2)11-7-13-12-5-4-9(14-3)6-10(11)12;1-8(2)11-7-13-12-6-9(3)4-5-10(11)12;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-5(2)6-3-7-4-8-6/h4-8,13H,1-3H3;4-8,13H,1-3H3;2*3-8,12H,1-2H3;3-7H,1-2H3,(H,11,12);3-5H,1-2H3,(H,7,8)
InChIKeyBREPUMLUNWBVJB-UHFFFAOYSA-N
XLogP17.70
TPSA129.75 Ų
H-Bond Donors6
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500951.36
LogP ≤ 517.70
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 103

Analyze 5-methoxy-3-propan-2-yl-1H-indole;6-methyl-3-propan-2-yl-1H-indole;2-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole with MolForge

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Launch Full Analysis

Related Compounds

3-[[4-[3-(1H-imidazol-5-yl)propyl]-5-[(3-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]-1H-indole
CID 168280914
(3S)-1-(4-methoxyphenyl)-3-(5-phenyl-1H-imidazol-2-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 9802240
2-(3H-benzimidazol-5-yl)-6-[6-(4-methoxyphenyl)-1H-benzimidazol-2-yl]-1H-benzimidazole
CID 10366792
3-[[5-benzyl-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]methyl]-5-methoxy-1H-indole
CID 142471655
3-[2-[4-[3-(1H-imidazol-5-yl)propyl]-5-[(3-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]ethyl]-1H-indole
CID 142471692
3-[[4-[3-(1H-imidazol-5-yl)propyl]-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]-5-methoxy-1H-indole
CID 142471769
3-[[5-[(4-fluorophenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]methyl]-5-methoxy-1H-indole
CID 142471841
3-[2-[4-[3-(1H-imidazol-5-yl)propyl]-5-[(3-phenylmethoxyphenyl)methyl]-1,2,4-triazol-3-yl]ethyl]-1H-indole
CID 142471893
6-Benzyloxy-1,1-dibutyl-3-(4-phenyl-1H-imidazol-2-yl)-2,3,4,9-tetrahydro-1H-beta-carboline
CID 11049745
(1R,3R)-3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-1-(oxan-4-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 127030229
2-(1H-imidazol-2-ylmethyl)-1-(3-methoxyphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline
CID 16188136
2-[6-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-3-pyridinyl]-6-(trifluoromethyl)-1H-benzimidazole
CID 137645058

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-propan-2-yl-1H-indole;6-methyl-3-propan-2-yl-1H-indole;2-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole?
The IUPAC name of 5-methoxy-3-propan-2-yl-1H-indole;6-methyl-3-propan-2-yl-1H-indole;2-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole (CID 157436699) is 5-methoxy-3-propan-2-yl-1H-indole;6-methyl-3-propan-2-yl-1H-indole;2-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole.
What is the SMILES notation for 5-methoxy-3-propan-2-yl-1H-indole;6-methyl-3-propan-2-yl-1H-indole;2-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole?
The canonical SMILES for 5-methoxy-3-propan-2-yl-1H-indole;6-methyl-3-propan-2-yl-1H-indole;2-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole is CC(C)c1c[nH]c2ccccc12.CC(C)c1cc2ccccc2[nH]1.CC(C)c1cnc[nH]1.CC(C)c1nc2ccccc2[nH]1.COc1ccc2[nH]cc(C(C)C)c2c1.Cc1ccc2c(C(C)C)c[nH]c2c1.
What is the InChIKey of 5-methoxy-3-propan-2-yl-1H-indole;6-methyl-3-propan-2-yl-1H-indole;2-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole?
The InChIKey is BREPUMLUNWBVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO.C12H15N.2C11H13N.C10H12N2.C6H10N2/c1-8(2)11-7-13-12-5-4-9(14-3)6-10(11)12;1-8(2)11-7-13-12-6-9(3)4-5-10(11)12;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-5(2)6-3-7-4-8-6/h4-8,13H,1-3H3;4-8,13H,1-3H3;2*3-8,12H,1-2H3;3-7H,1-2H3,(H,11,12);3-5H,1-2H3,(H,7,8).
What are the key properties of 5-methoxy-3-propan-2-yl-1H-indole;6-methyl-3-propan-2-yl-1H-indole;2-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole?
5-methoxy-3-propan-2-yl-1H-indole;6-methyl-3-propan-2-yl-1H-indole;2-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole has a molecular weight of 951.36 g/mol, XLogP of 17.70, 7 rotatable bonds, 6 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-propan-2-yl-1H-indole;6-methyl-3-propan-2-yl-1H-indole;2-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole is sourced from PubChem (CID 157436699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).