6-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indole;hydrochloride

C12H13Cl2N3 — CID 127048110

IUPAC6-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indole;hydrochloride
SMILESCl.Clc1ccc2ccn(CC3=NCCN3)c2c1
InChIInChI=1S/C12H12ClN3.ClH/c13-10-2-1-9-3-6-16(11(9)7-10)8-12-14-4-5-15-12;/h1-3,6-7H,4-5,8H2,(H,14,15);1H
InChIKeyZXWDHHOLQAOKEQ-UHFFFAOYSA-N
MW270.16 g/mol
LogP2.72
Rot. Bonds2

About 6-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indole;hydrochloride

6-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indole;hydrochloride (PubChem CID 127048110) has the molecular formula C12H13Cl2N3 and a molecular weight of 270.16 g/mol. Its IUPAC name is 6-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indole;hydrochloride.

Molecular Properties

Compound Name6-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indole;hydrochloride
PubChem CID127048110
Molecular FormulaC12H13Cl2N3
Molecular Weight270.16 g/mol
Exact Mass269.05
IUPAC Name6-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indole;hydrochloride
SMILESCl.Clc1ccc2ccn(CC3=NCCN3)c2c1
InChIInChI=1S/C12H12ClN3.ClH/c13-10-2-1-9-3-6-16(11(9)7-10)8-12-14-4-5-15-12;/h1-3,6-7H,4-5,8H2,(H,14,15);1H
InChIKeyZXWDHHOLQAOKEQ-UHFFFAOYSA-N
XLogP2.72
TPSA29.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indole;hydrochloride?
The IUPAC name of 6-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indole;hydrochloride (CID 127048110) is 6-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indole;hydrochloride.
What is the SMILES notation for 6-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indole;hydrochloride?
The canonical SMILES for 6-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indole;hydrochloride is Cl.Clc1ccc2ccn(CC3=NCCN3)c2c1.
What is the InChIKey of 6-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indole;hydrochloride?
The InChIKey is ZXWDHHOLQAOKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3.ClH/c13-10-2-1-9-3-6-16(11(9)7-10)8-12-14-4-5-15-12;/h1-3,6-7H,4-5,8H2,(H,14,15);1H.
What are the key properties of 6-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indole;hydrochloride?
6-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indole;hydrochloride has a molecular weight of 270.16 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indole;hydrochloride is sourced from PubChem (CID 127048110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).