5-chloro-2-(5-chloro-1-methylbenzimidazol-2-yl)aniline

C14H11Cl2N3 — CID 60785031

IUPAC5-chloro-2-(5-chloro-1-methylbenzimidazol-2-yl)aniline
SMILESCn1c(-c2ccc(Cl)cc2N)nc2cc(Cl)ccc21
InChIInChI=1S/C14H11Cl2N3/c1-19-13-5-3-9(16)7-12(13)18-14(19)10-4-2-8(15)6-11(10)17/h2-7H,17H2,1H3
InChIKeyBAVRSIGLMXZFKF-UHFFFAOYSA-N
MW292.17 g/mol
LogP4.13
Rot. Bonds1

About 5-chloro-2-(5-chloro-1-methylbenzimidazol-2-yl)aniline

5-chloro-2-(5-chloro-1-methylbenzimidazol-2-yl)aniline (PubChem CID 60785031) has the molecular formula C14H11Cl2N3 and a molecular weight of 292.17 g/mol. Its IUPAC name is 5-chloro-2-(5-chloro-1-methylbenzimidazol-2-yl)aniline.

Molecular Properties

Compound Name5-chloro-2-(5-chloro-1-methylbenzimidazol-2-yl)aniline
PubChem CID60785031
Molecular FormulaC14H11Cl2N3
Molecular Weight292.17 g/mol
Exact Mass291.03
IUPAC Name5-chloro-2-(5-chloro-1-methylbenzimidazol-2-yl)aniline
SMILESCn1c(-c2ccc(Cl)cc2N)nc2cc(Cl)ccc21
InChIInChI=1S/C14H11Cl2N3/c1-19-13-5-3-9(16)7-12(13)18-14(19)10-4-2-8(15)6-11(10)17/h2-7H,17H2,1H3
InChIKeyBAVRSIGLMXZFKF-UHFFFAOYSA-N
XLogP4.13
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(5-chloro-1-methylbenzimidazol-2-yl)aniline?
The IUPAC name of 5-chloro-2-(5-chloro-1-methylbenzimidazol-2-yl)aniline (CID 60785031) is 5-chloro-2-(5-chloro-1-methylbenzimidazol-2-yl)aniline.
What is the SMILES notation for 5-chloro-2-(5-chloro-1-methylbenzimidazol-2-yl)aniline?
The canonical SMILES for 5-chloro-2-(5-chloro-1-methylbenzimidazol-2-yl)aniline is Cn1c(-c2ccc(Cl)cc2N)nc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-2-(5-chloro-1-methylbenzimidazol-2-yl)aniline?
The InChIKey is BAVRSIGLMXZFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3/c1-19-13-5-3-9(16)7-12(13)18-14(19)10-4-2-8(15)6-11(10)17/h2-7H,17H2,1H3.
What are the key properties of 5-chloro-2-(5-chloro-1-methylbenzimidazol-2-yl)aniline?
5-chloro-2-(5-chloro-1-methylbenzimidazol-2-yl)aniline has a molecular weight of 292.17 g/mol, XLogP of 4.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(5-chloro-1-methylbenzimidazol-2-yl)aniline is sourced from PubChem (CID 60785031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).