(1,2-dimethylindol-3-yl)-(1-methylindol-3-yl)methanone

C20H18N2O — CID 23544603

IUPAC(1,2-dimethylindol-3-yl)-(1-methylindol-3-yl)methanone
SMILESCc1c(C(=O)c2cn(C)c3ccccc23)c2ccccc2n1C
InChIInChI=1S/C20H18N2O/c1-13-19(15-9-5-7-11-18(15)22(13)3)20(23)16-12-21(2)17-10-6-4-8-14(16)17/h4-12H,1-3H3
InChIKeyUJSLOSLGVVTSRI-UHFFFAOYSA-N
MW302.38 g/mol
LogP4.21
Rot. Bonds2

About (1,2-dimethylindol-3-yl)-(1-methylindol-3-yl)methanone

(1,2-dimethylindol-3-yl)-(1-methylindol-3-yl)methanone (PubChem CID 23544603) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is (1,2-dimethylindol-3-yl)-(1-methylindol-3-yl)methanone.

Molecular Properties

Compound Name(1,2-dimethylindol-3-yl)-(1-methylindol-3-yl)methanone
PubChem CID23544603
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC Name(1,2-dimethylindol-3-yl)-(1-methylindol-3-yl)methanone
SMILESCc1c(C(=O)c2cn(C)c3ccccc23)c2ccccc2n1C
InChIInChI=1S/C20H18N2O/c1-13-19(15-9-5-7-11-18(15)22(13)3)20(23)16-12-21(2)17-10-6-4-8-14(16)17/h4-12H,1-3H3
InChIKeyUJSLOSLGVVTSRI-UHFFFAOYSA-N
XLogP4.21
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-5-methylphenyl)-(1-methylindol-3-yl)methanone
CID 81111128
furan-3-yl-(1-methylindol-3-yl)methanone
CID 43463454
1-methylindole-3-carbothioic S-acid
CID 116918837
(2-methylfuran-3-yl)-(1-methylindol-3-yl)methanone
CID 43463456
[3-(2-hydroxyphenyl)-1-methylindol-2-yl]-(1-methylindol-3-yl)methanone
CID 177406547
ethane;2-(1-methylindol-3-yl)-2-oxoacetic acid
CID 91016552
2-(1-methylindol-3-yl)-2-oxoacetamide
CID 594179
N-ethyl-1-methylindole-3-carboxamide
CID 25348690
(1-methylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 170857099
N'-amino-1,2-dimethylindole-3-carboximidamide
CID 83532039
chloro 1-methylindole-3-carboxylate
CID 69132264
ethyl 3,3-bis(1-methylindol-3-yl)prop-2-enoate
CID 102424290

Frequently Asked Questions

What is the IUPAC name of (1,2-dimethylindol-3-yl)-(1-methylindol-3-yl)methanone?
The IUPAC name of (1,2-dimethylindol-3-yl)-(1-methylindol-3-yl)methanone (CID 23544603) is (1,2-dimethylindol-3-yl)-(1-methylindol-3-yl)methanone.
What is the SMILES notation for (1,2-dimethylindol-3-yl)-(1-methylindol-3-yl)methanone?
The canonical SMILES for (1,2-dimethylindol-3-yl)-(1-methylindol-3-yl)methanone is Cc1c(C(=O)c2cn(C)c3ccccc23)c2ccccc2n1C.
What is the InChIKey of (1,2-dimethylindol-3-yl)-(1-methylindol-3-yl)methanone?
The InChIKey is UJSLOSLGVVTSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O/c1-13-19(15-9-5-7-11-18(15)22(13)3)20(23)16-12-21(2)17-10-6-4-8-14(16)17/h4-12H,1-3H3.
What are the key properties of (1,2-dimethylindol-3-yl)-(1-methylindol-3-yl)methanone?
(1,2-dimethylindol-3-yl)-(1-methylindol-3-yl)methanone has a molecular weight of 302.38 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-dimethylindol-3-yl)-(1-methylindol-3-yl)methanone is sourced from PubChem (CID 23544603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).