1-[2-(2,4-dichlorophenyl)ethyl]-2-methylbenzimidazol-5-amine

C16H15Cl2N3 — CID 62507980

IUPAC1-[2-(2,4-dichlorophenyl)ethyl]-2-methylbenzimidazol-5-amine
SMILESCc1nc2cc(N)ccc2n1CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H15Cl2N3/c1-10-20-15-9-13(19)4-5-16(15)21(10)7-6-11-2-3-12(17)8-14(11)18/h2-5,8-9H,6-7,19H2,1H3
InChIKeyHZTPOFUIXIGMOG-UHFFFAOYSA-N
MW320.22 g/mol
LogP4.48
Rot. Bonds3

About 1-[2-(2,4-dichlorophenyl)ethyl]-2-methylbenzimidazol-5-amine

1-[2-(2,4-dichlorophenyl)ethyl]-2-methylbenzimidazol-5-amine (PubChem CID 62507980) has the molecular formula C16H15Cl2N3 and a molecular weight of 320.22 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenyl)ethyl]-2-methylbenzimidazol-5-amine.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenyl)ethyl]-2-methylbenzimidazol-5-amine
PubChem CID62507980
Molecular FormulaC16H15Cl2N3
Molecular Weight320.22 g/mol
Exact Mass319.06
IUPAC Name1-[2-(2,4-dichlorophenyl)ethyl]-2-methylbenzimidazol-5-amine
SMILESCc1nc2cc(N)ccc2n1CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H15Cl2N3/c1-10-20-15-9-13(19)4-5-16(15)21(10)7-6-11-2-3-12(17)8-14(11)18/h2-5,8-9H,6-7,19H2,1H3
InChIKeyHZTPOFUIXIGMOG-UHFFFAOYSA-N
XLogP4.48
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 54.48
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 1-[2-(2,4-dichlorophenyl)ethyl]-2-methylbenzimidazol-5-amine?
The IUPAC name of 1-[2-(2,4-dichlorophenyl)ethyl]-2-methylbenzimidazol-5-amine (CID 62507980) is 1-[2-(2,4-dichlorophenyl)ethyl]-2-methylbenzimidazol-5-amine.
What is the SMILES notation for 1-[2-(2,4-dichlorophenyl)ethyl]-2-methylbenzimidazol-5-amine?
The canonical SMILES for 1-[2-(2,4-dichlorophenyl)ethyl]-2-methylbenzimidazol-5-amine is Cc1nc2cc(N)ccc2n1CCc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[2-(2,4-dichlorophenyl)ethyl]-2-methylbenzimidazol-5-amine?
The InChIKey is HZTPOFUIXIGMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3/c1-10-20-15-9-13(19)4-5-16(15)21(10)7-6-11-2-3-12(17)8-14(11)18/h2-5,8-9H,6-7,19H2,1H3.
What are the key properties of 1-[2-(2,4-dichlorophenyl)ethyl]-2-methylbenzimidazol-5-amine?
1-[2-(2,4-dichlorophenyl)ethyl]-2-methylbenzimidazol-5-amine has a molecular weight of 320.22 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenyl)ethyl]-2-methylbenzimidazol-5-amine is sourced from PubChem (CID 62507980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).