5-chloro-3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-1H-indole

C12H12ClN3 — CID 10220285

IUPAC5-chloro-3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-1H-indole
SMILESCc1[nH]c2ccc(Cl)cc2c1C1=NCCN1
InChIInChI=1S/C12H12ClN3/c1-7-11(12-14-4-5-15-12)9-6-8(13)2-3-10(9)16-7/h2-3,6,16H,4-5H2,1H3,(H,14,15)
InChIKeyDZGWFFPRFKGZOR-UHFFFAOYSA-N
MW233.70 g/mol
LogP2.48
Rot. Bonds1

About 5-chloro-3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-1H-indole

5-chloro-3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-1H-indole (PubChem CID 10220285) has the molecular formula C12H12ClN3 and a molecular weight of 233.70 g/mol. Its IUPAC name is 5-chloro-3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-1H-indole.

Molecular Properties

Compound Name5-chloro-3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-1H-indole
PubChem CID10220285
Molecular FormulaC12H12ClN3
Molecular Weight233.70 g/mol
Exact Mass233.07
IUPAC Name5-chloro-3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-1H-indole
SMILESCc1[nH]c2ccc(Cl)cc2c1C1=NCCN1
InChIInChI=1S/C12H12ClN3/c1-7-11(12-14-4-5-15-12)9-6-8(13)2-3-10(9)16-7/h2-3,6,16H,4-5H2,1H3,(H,14,15)
InChIKeyDZGWFFPRFKGZOR-UHFFFAOYSA-N
XLogP2.48
TPSA40.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-1H-indole?
The IUPAC name of 5-chloro-3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-1H-indole (CID 10220285) is 5-chloro-3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-1H-indole.
What is the SMILES notation for 5-chloro-3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-1H-indole?
The canonical SMILES for 5-chloro-3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-1H-indole is Cc1[nH]c2ccc(Cl)cc2c1C1=NCCN1.
What is the InChIKey of 5-chloro-3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-1H-indole?
The InChIKey is DZGWFFPRFKGZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3/c1-7-11(12-14-4-5-15-12)9-6-8(13)2-3-10(9)16-7/h2-3,6,16H,4-5H2,1H3,(H,14,15).
What are the key properties of 5-chloro-3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-1H-indole?
5-chloro-3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-1H-indole has a molecular weight of 233.70 g/mol, XLogP of 2.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-1H-indole is sourced from PubChem (CID 10220285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).