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

C11H12Cl2N4 — CID 57397180

IUPAC4-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazole;hydrochloride
SMILESCl.Clc1cccc2c1cnn2CC1=NCCN1
InChIInChI=1S/C11H11ClN4.ClH/c12-9-2-1-3-10-8(9)6-15-16(10)7-11-13-4-5-14-11;/h1-3,6H,4-5,7H2,(H,13,14);1H
InChIKeyMJHAMJXZSWMISX-UHFFFAOYSA-N
MW271.15 g/mol
LogP2.11
Rot. Bonds2

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

4-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazole;hydrochloride (PubChem CID 57397180) has the molecular formula C11H12Cl2N4 and a molecular weight of 271.15 g/mol. Its IUPAC name is 4-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazole;hydrochloride.

Molecular Properties

Compound Name4-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazole;hydrochloride
PubChem CID57397180
Molecular FormulaC11H12Cl2N4
Molecular Weight271.15 g/mol
Exact Mass270.04
IUPAC Name4-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazole;hydrochloride
SMILESCl.Clc1cccc2c1cnn2CC1=NCCN1
InChIInChI=1S/C11H11ClN4.ClH/c12-9-2-1-3-10-8(9)6-15-16(10)7-11-13-4-5-14-11;/h1-3,6H,4-5,7H2,(H,13,14);1H
InChIKeyMJHAMJXZSWMISX-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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazole;hydrochloride?
The IUPAC name of 4-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazole;hydrochloride (CID 57397180) is 4-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazole;hydrochloride.
What is the SMILES notation for 4-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazole;hydrochloride?
The canonical SMILES for 4-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazole;hydrochloride is Cl.Clc1cccc2c1cnn2CC1=NCCN1.
What is the InChIKey of 4-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazole;hydrochloride?
The InChIKey is MJHAMJXZSWMISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4.ClH/c12-9-2-1-3-10-8(9)6-15-16(10)7-11-13-4-5-14-11;/h1-3,6H,4-5,7H2,(H,13,14);1H.
What are the key properties of 4-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazole;hydrochloride?
4-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 4-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazole;hydrochloride is sourced from PubChem (CID 57397180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).