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

C11H11ClN4 — CID 56950526

IUPAC7-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazole
SMILESClc1cccc2cnn(CC3=NCCN3)c12
InChIInChI=1S/C11H11ClN4/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)
InChIKeyNNSKKTLFCQUBET-UHFFFAOYSA-N
MW234.69 g/mol
LogP1.69
Rot. Bonds2

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

7-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazole (PubChem CID 56950526) has the molecular formula C11H11ClN4 and a molecular weight of 234.69 g/mol. Its IUPAC name is 7-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazole.

Molecular Properties

Compound Name7-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazole
PubChem CID56950526
Molecular FormulaC11H11ClN4
Molecular Weight234.69 g/mol
Exact Mass234.07
IUPAC Name7-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazole
SMILESClc1cccc2cnn(CC3=NCCN3)c12
InChIInChI=1S/C11H11ClN4/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)
InChIKeyNNSKKTLFCQUBET-UHFFFAOYSA-N
XLogP1.69
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazole?
The IUPAC name of 7-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazole (CID 56950526) is 7-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazole.
What is the SMILES notation for 7-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazole?
The canonical SMILES for 7-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazole is Clc1cccc2cnn(CC3=NCCN3)c12.
What is the InChIKey of 7-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazole?
The InChIKey is NNSKKTLFCQUBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4/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).
What are the key properties of 7-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazole?
7-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazole has a molecular weight of 234.69 g/mol, XLogP of 1.69, 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 is sourced from PubChem (CID 56950526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).