7-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazole;hydrochloride

C11H12Cl2N4 — CID 57390125

IUPAC7-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazole;hydrochloride
SMILESCl.Clc1cccc2cnn(CC3=NCCN3)c12
InChIInChI=1S/C11H11ClN4.ClH/c12-9-3-1-2-8-6-15-16(11(8)9)7-10-13-4-5-14-10;/h1-3,6H,4-5,7H2,(H,13,14);1H
InChIKeyVWSKPTYMUXHYOT-UHFFFAOYSA-N
MW271.15 g/mol
LogP2.11
Rot. Bonds2

About 7-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazole;hydrochloride

7-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazole;hydrochloride (PubChem CID 57390125) has the molecular formula C11H12Cl2N4 and a molecular weight of 271.15 g/mol. Its IUPAC name is 7-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazole;hydrochloride.

Molecular Properties

Compound Name7-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazole;hydrochloride
PubChem CID57390125
Molecular FormulaC11H12Cl2N4
Molecular Weight271.15 g/mol
Exact Mass270.04
IUPAC Name7-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazole;hydrochloride
SMILESCl.Clc1cccc2cnn(CC3=NCCN3)c12
InChIInChI=1S/C11H11ClN4.ClH/c12-9-3-1-2-8-6-15-16(11(8)9)7-10-13-4-5-14-10;/h1-3,6H,4-5,7H2,(H,13,14);1H
InChIKeyVWSKPTYMUXHYOT-UHFFFAOYSA-N
XLogP2.11
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(6,7-dichloroindazol-1-yl)propan-2-amine
CID 44452809
7-Cl-Marsanidine
CID 53323136
1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazole;hydrochloride
CID 57391903
1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-7-fluoroindazole;hydrochloride
CID 57395354
1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylindazole;hydrochloride
CID 57397178
4-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazole;hydrochloride
CID 57397180
1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-7-methylindazole;hydrochloride
CID 57400569
1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-methylindazole;dihydrochloride
CID 90664344
1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-5-methylindazole;dihydrochloride
CID 90664846
5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)indazol-1-amine;hydrochloride
CID 24882014
7-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-1H-indazol-3-amine;hydrochloride
CID 50994259
1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-fluoroindazole
CID 118717251

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazole;hydrochloride?
The IUPAC name of 7-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazole;hydrochloride (CID 57390125) is 7-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazole;hydrochloride.
What is the SMILES notation for 7-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazole;hydrochloride?
The canonical SMILES for 7-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazole;hydrochloride is Cl.Clc1cccc2cnn(CC3=NCCN3)c12.
What is the InChIKey of 7-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazole;hydrochloride?
The InChIKey is VWSKPTYMUXHYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4.ClH/c12-9-3-1-2-8-6-15-16(11(8)9)7-10-13-4-5-14-10;/h1-3,6H,4-5,7H2,(H,13,14);1H.
What are the key properties of 7-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazole;hydrochloride?
7-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazole;hydrochloride has a molecular weight of 271.15 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazole;hydrochloride is sourced from PubChem (CID 57390125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).