6-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindole;hydrochloride

C12H15Cl2N3 — CID 45265703

IUPAC6-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindole;hydrochloride
SMILESCN1c2cc(Cl)ccc2CC1C1=NCCN1.Cl
InChIInChI=1S/C12H14ClN3.ClH/c1-16-10-7-9(13)3-2-8(10)6-11(16)12-14-4-5-15-12;/h2-3,7,11H,4-6H2,1H3,(H,14,15);1H
InChIKeyOPKVFNXLXCQGQR-UHFFFAOYSA-N
MW272.18 g/mol
LogP2.12
Rot. Bonds1

About 6-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindole;hydrochloride

6-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindole;hydrochloride (PubChem CID 45265703) has the molecular formula C12H15Cl2N3 and a molecular weight of 272.18 g/mol. Its IUPAC name is 6-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindole;hydrochloride.

Molecular Properties

Compound Name6-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindole;hydrochloride
PubChem CID45265703
Molecular FormulaC12H15Cl2N3
Molecular Weight272.18 g/mol
Exact Mass271.06
IUPAC Name6-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindole;hydrochloride
SMILESCN1c2cc(Cl)ccc2CC1C1=NCCN1.Cl
InChIInChI=1S/C12H14ClN3.ClH/c1-16-10-7-9(13)3-2-8(10)6-11(16)12-14-4-5-15-12;/h2-3,7,11H,4-6H2,1H3,(H,14,15);1H
InChIKeyOPKVFNXLXCQGQR-UHFFFAOYSA-N
XLogP2.12
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.18
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindole;hydrochloride?
The IUPAC name of 6-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindole;hydrochloride (CID 45265703) is 6-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindole;hydrochloride.
What is the SMILES notation for 6-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindole;hydrochloride?
The canonical SMILES for 6-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindole;hydrochloride is CN1c2cc(Cl)ccc2CC1C1=NCCN1.Cl.
What is the InChIKey of 6-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindole;hydrochloride?
The InChIKey is OPKVFNXLXCQGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3.ClH/c1-16-10-7-9(13)3-2-8(10)6-11(16)12-14-4-5-15-12;/h2-3,7,11H,4-6H2,1H3,(H,14,15);1H.
What are the key properties of 6-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindole;hydrochloride?
6-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindole;hydrochloride has a molecular weight of 272.18 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindole;hydrochloride is sourced from PubChem (CID 45265703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).