[1-[2-(1-methylimidazol-2-yl)ethyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone

C22H27N3O — CID 45486235

IUPAC[1-[2-(1-methylimidazol-2-yl)ethyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCn1ccnc1CCn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21
InChIInChI=1S/C22H27N3O/c1-21(2)20(22(21,3)4)19(26)16-14-25(17-9-7-6-8-15(16)17)12-10-18-23-11-13-24(18)5/h6-9,11,13-14,20H,10,12H2,1-5H3
InChIKeyBYPMRDDODQUEJN-UHFFFAOYSA-N
MW349.48 g/mol
LogP4.48
Rot. Bonds5

About [1-[2-(1-methylimidazol-2-yl)ethyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone

[1-[2-(1-methylimidazol-2-yl)ethyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (PubChem CID 45486235) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is [1-[2-(1-methylimidazol-2-yl)ethyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.

Molecular Properties

Compound Name[1-[2-(1-methylimidazol-2-yl)ethyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
PubChem CID45486235
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name[1-[2-(1-methylimidazol-2-yl)ethyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCn1ccnc1CCn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21
InChIInChI=1S/C22H27N3O/c1-21(2)20(22(21,3)4)19(26)16-14-25(17-9-7-6-8-15(16)17)12-10-18-23-11-13-24(18)5/h6-9,11,13-14,20H,10,12H2,1-5H3
InChIKeyBYPMRDDODQUEJN-UHFFFAOYSA-N
XLogP4.48
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(1-methylimidazol-2-yl)ethyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The IUPAC name of [1-[2-(1-methylimidazol-2-yl)ethyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (CID 45486235) is [1-[2-(1-methylimidazol-2-yl)ethyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.
What is the SMILES notation for [1-[2-(1-methylimidazol-2-yl)ethyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The canonical SMILES for [1-[2-(1-methylimidazol-2-yl)ethyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is Cn1ccnc1CCn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21.
What is the InChIKey of [1-[2-(1-methylimidazol-2-yl)ethyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The InChIKey is BYPMRDDODQUEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-21(2)20(22(21,3)4)19(26)16-14-25(17-9-7-6-8-15(16)17)12-10-18-23-11-13-24(18)5/h6-9,11,13-14,20H,10,12H2,1-5H3.
What are the key properties of [1-[2-(1-methylimidazol-2-yl)ethyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
[1-[2-(1-methylimidazol-2-yl)ethyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone has a molecular weight of 349.48 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(1-methylimidazol-2-yl)ethyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is sourced from PubChem (CID 45486235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).