(7-chloro-1-ethylbenzimidazol-2-yl)hydrazine

C9H11ClN4 — CID 115059664

IUPAC(7-chloro-1-ethylbenzimidazol-2-yl)hydrazine
SMILESCCn1c(NN)nc2cccc(Cl)c21
InChIInChI=1S/C9H11ClN4/c1-2-14-8-6(10)4-3-5-7(8)12-9(14)13-11/h3-5H,2,11H2,1H3,(H,12,13)
InChIKeyVPGQVYXGSOFTSJ-UHFFFAOYSA-N
MW210.67 g/mol
LogP2.00
Rot. Bonds2

About (7-chloro-1-ethylbenzimidazol-2-yl)hydrazine

(7-chloro-1-ethylbenzimidazol-2-yl)hydrazine (PubChem CID 115059664) has the molecular formula C9H11ClN4 and a molecular weight of 210.67 g/mol. Its IUPAC name is (7-chloro-1-ethylbenzimidazol-2-yl)hydrazine.

Molecular Properties

Compound Name(7-chloro-1-ethylbenzimidazol-2-yl)hydrazine
PubChem CID115059664
Molecular FormulaC9H11ClN4
Molecular Weight210.67 g/mol
Exact Mass210.07
IUPAC Name(7-chloro-1-ethylbenzimidazol-2-yl)hydrazine
SMILESCCn1c(NN)nc2cccc(Cl)c21
InChIInChI=1S/C9H11ClN4/c1-2-14-8-6(10)4-3-5-7(8)12-9(14)13-11/h3-5H,2,11H2,1H3,(H,12,13)
InChIKeyVPGQVYXGSOFTSJ-UHFFFAOYSA-N
XLogP2.00
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.67
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7-chloro-1-ethylbenzimidazol-2-yl)hydrazine?
The IUPAC name of (7-chloro-1-ethylbenzimidazol-2-yl)hydrazine (CID 115059664) is (7-chloro-1-ethylbenzimidazol-2-yl)hydrazine.
What is the SMILES notation for (7-chloro-1-ethylbenzimidazol-2-yl)hydrazine?
The canonical SMILES for (7-chloro-1-ethylbenzimidazol-2-yl)hydrazine is CCn1c(NN)nc2cccc(Cl)c21.
What is the InChIKey of (7-chloro-1-ethylbenzimidazol-2-yl)hydrazine?
The InChIKey is VPGQVYXGSOFTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4/c1-2-14-8-6(10)4-3-5-7(8)12-9(14)13-11/h3-5H,2,11H2,1H3,(H,12,13).
What are the key properties of (7-chloro-1-ethylbenzimidazol-2-yl)hydrazine?
(7-chloro-1-ethylbenzimidazol-2-yl)hydrazine has a molecular weight of 210.67 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-1-ethylbenzimidazol-2-yl)hydrazine is sourced from PubChem (CID 115059664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).