5-(2,4-dimethylimidazol-1-yl)-2,3-dihydro-1H-indole

C13H15N3 — CID 82512522

IUPAC5-(2,4-dimethylimidazol-1-yl)-2,3-dihydro-1H-indole
SMILESCc1cn(-c2ccc3c(c2)CCN3)c(C)n1
InChIInChI=1S/C13H15N3/c1-9-8-16(10(2)15-9)12-3-4-13-11(7-12)5-6-14-13/h3-4,7-8,14H,5-6H2,1-2H3
InChIKeyWZXBQVKZADCRBE-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.46
Rot. Bonds1

About 5-(2,4-dimethylimidazol-1-yl)-2,3-dihydro-1H-indole

5-(2,4-dimethylimidazol-1-yl)-2,3-dihydro-1H-indole (PubChem CID 82512522) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 5-(2,4-dimethylimidazol-1-yl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-(2,4-dimethylimidazol-1-yl)-2,3-dihydro-1H-indole
PubChem CID82512522
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name5-(2,4-dimethylimidazol-1-yl)-2,3-dihydro-1H-indole
SMILESCc1cn(-c2ccc3c(c2)CCN3)c(C)n1
InChIInChI=1S/C13H15N3/c1-9-8-16(10(2)15-9)12-3-4-13-11(7-12)5-6-14-13/h3-4,7-8,14H,5-6H2,1-2H3
InChIKeyWZXBQVKZADCRBE-UHFFFAOYSA-N
XLogP2.46
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2,4-dimethylimidazol-1-yl)-1,2,3,4-tetrahydroquinoline
CID 82512894
5-(5-methyl-3-propan-2-yl-1,2,4-triazol-1-yl)-2,3-dihydro-1H-indole
CID 82513455
6-(3-methylpyrazol-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81224527
6-(4-methylpyrazol-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81224912
5-(2,3,4,5,6-pentamethylphenyl)-2,3-dihydro-1H-indole
CID 63424136
2-(2,3-dihydro-1H-indol-5-yl)-4,5-dimethyl-1,3-thiazole
CID 82474601
3-(2,4-dimethylimidazol-1-yl)aniline
CID 82512201
5-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole
CID 62722122
5-prop-1-en-2-yl-2,3-dihydro-1H-indole
CID 130132973
1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 170999934
N-(2,5-dimethylpyrazol-3-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43325652
5-bromo-2-(2,3-dihydro-1H-indol-5-yl)-1-methylbenzimidazole
CID 60784272

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethylimidazol-1-yl)-2,3-dihydro-1H-indole?
The IUPAC name of 5-(2,4-dimethylimidazol-1-yl)-2,3-dihydro-1H-indole (CID 82512522) is 5-(2,4-dimethylimidazol-1-yl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-(2,4-dimethylimidazol-1-yl)-2,3-dihydro-1H-indole?
The canonical SMILES for 5-(2,4-dimethylimidazol-1-yl)-2,3-dihydro-1H-indole is Cc1cn(-c2ccc3c(c2)CCN3)c(C)n1.
What is the InChIKey of 5-(2,4-dimethylimidazol-1-yl)-2,3-dihydro-1H-indole?
The InChIKey is WZXBQVKZADCRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-9-8-16(10(2)15-9)12-3-4-13-11(7-12)5-6-14-13/h3-4,7-8,14H,5-6H2,1-2H3.
What are the key properties of 5-(2,4-dimethylimidazol-1-yl)-2,3-dihydro-1H-indole?
5-(2,4-dimethylimidazol-1-yl)-2,3-dihydro-1H-indole has a molecular weight of 213.28 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethylimidazol-1-yl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 82512522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).