[2-methyl-3-[(2-methyl-1H-indol-3-yl)methyl]-1,2-dihydroindol-3-yl]methanol

C20H22N2O — CID 165343261

IUPAC[2-methyl-3-[(2-methyl-1H-indol-3-yl)methyl]-1,2-dihydroindol-3-yl]methanol
SMILESCc1[nH]c2ccccc2c1CC1(CO)c2ccccc2NC1C
InChIInChI=1S/C20H22N2O/c1-13-16(15-7-3-5-9-18(15)21-13)11-20(12-23)14(2)22-19-10-6-4-8-17(19)20/h3-10,14,21-23H,11-12H2,1-2H3
InChIKeyVOSBYHKKWZXUSV-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.76
Rot. Bonds3

About [2-methyl-3-[(2-methyl-1H-indol-3-yl)methyl]-1,2-dihydroindol-3-yl]methanol

[2-methyl-3-[(2-methyl-1H-indol-3-yl)methyl]-1,2-dihydroindol-3-yl]methanol (PubChem CID 165343261) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is [2-methyl-3-[(2-methyl-1H-indol-3-yl)methyl]-1,2-dihydroindol-3-yl]methanol.

Molecular Properties

Compound Name[2-methyl-3-[(2-methyl-1H-indol-3-yl)methyl]-1,2-dihydroindol-3-yl]methanol
PubChem CID165343261
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name[2-methyl-3-[(2-methyl-1H-indol-3-yl)methyl]-1,2-dihydroindol-3-yl]methanol
SMILESCc1[nH]c2ccccc2c1CC1(CO)c2ccccc2NC1C
InChIInChI=1S/C20H22N2O/c1-13-16(15-7-3-5-9-18(15)21-13)11-20(12-23)14(2)22-19-10-6-4-8-17(19)20/h3-10,14,21-23H,11-12H2,1-2H3
InChIKeyVOSBYHKKWZXUSV-UHFFFAOYSA-N
XLogP3.76
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

[1-[(2-methyl-1H-indol-3-yl)methyl]cyclopropyl]methanamine
CID 116928972
3-[(2-methyl-1H-indol-3-yl)methyl]oxetane-3-carboxylic acid
CID 116930115
3-ethyl-2-methyl-1H-indole;propane
CID 156727003
1-methyl-3-[(2-methyl-1H-indol-3-yl)methyl]urea
CID 115169132
2-methyl-1-[(2-methyl-1H-indol-3-yl)methyl]piperidine-4-carboxylic acid
CID 106745309
5-(2-methyl-1H-indol-3-yl)pentan-2-one
CID 116927762
2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid
CID 115171128
1-[(2-methyl-1H-indol-3-yl)methyl]piperidine-2-carboxylic acid
CID 65054375
2-(cyclopropylamino)-N-[(2-methyl-1H-indol-3-yl)methyl]acetamide
CID 115158454
bis(2-(2-methyl-1H-indol-3-yl)ethanamine);hydrochloride
CID 169440945
3-(3-chloropropyl)-2-methyl-1H-indole
CID 13022442
(E)-4-(2-methyl-1H-indol-3-yl)but-2-enoic acid
CID 116866024

Frequently Asked Questions

What is the IUPAC name of [2-methyl-3-[(2-methyl-1H-indol-3-yl)methyl]-1,2-dihydroindol-3-yl]methanol?
The IUPAC name of [2-methyl-3-[(2-methyl-1H-indol-3-yl)methyl]-1,2-dihydroindol-3-yl]methanol (CID 165343261) is [2-methyl-3-[(2-methyl-1H-indol-3-yl)methyl]-1,2-dihydroindol-3-yl]methanol.
What is the SMILES notation for [2-methyl-3-[(2-methyl-1H-indol-3-yl)methyl]-1,2-dihydroindol-3-yl]methanol?
The canonical SMILES for [2-methyl-3-[(2-methyl-1H-indol-3-yl)methyl]-1,2-dihydroindol-3-yl]methanol is Cc1[nH]c2ccccc2c1CC1(CO)c2ccccc2NC1C.
What is the InChIKey of [2-methyl-3-[(2-methyl-1H-indol-3-yl)methyl]-1,2-dihydroindol-3-yl]methanol?
The InChIKey is VOSBYHKKWZXUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-13-16(15-7-3-5-9-18(15)21-13)11-20(12-23)14(2)22-19-10-6-4-8-17(19)20/h3-10,14,21-23H,11-12H2,1-2H3.
What are the key properties of [2-methyl-3-[(2-methyl-1H-indol-3-yl)methyl]-1,2-dihydroindol-3-yl]methanol?
[2-methyl-3-[(2-methyl-1H-indol-3-yl)methyl]-1,2-dihydroindol-3-yl]methanol has a molecular weight of 306.41 g/mol, XLogP of 3.76, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-3-[(2-methyl-1H-indol-3-yl)methyl]-1,2-dihydroindol-3-yl]methanol is sourced from PubChem (CID 165343261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).