N-[2-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-2-methylaniline

C16H15Cl2N3 — CID 82005404

IUPACN-[2-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-2-methylaniline
SMILESCc1ccccc1NCCc1nc2cc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C16H15Cl2N3/c1-10-4-2-3-5-13(10)19-7-6-16-20-14-8-11(17)12(18)9-15(14)21-16/h2-5,8-9,19H,6-7H2,1H3,(H,20,21)
InChIKeyWXWMEQYDUOIHRL-UHFFFAOYSA-N
MW320.22 g/mol
LogP4.83
Rot. Bonds4

About N-[2-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-2-methylaniline

N-[2-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-2-methylaniline (PubChem CID 82005404) has the molecular formula C16H15Cl2N3 and a molecular weight of 320.22 g/mol. Its IUPAC name is N-[2-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-2-methylaniline.

Molecular Properties

Compound NameN-[2-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-2-methylaniline
PubChem CID82005404
Molecular FormulaC16H15Cl2N3
Molecular Weight320.22 g/mol
Exact Mass319.06
IUPAC NameN-[2-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-2-methylaniline
SMILESCc1ccccc1NCCc1nc2cc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C16H15Cl2N3/c1-10-4-2-3-5-13(10)19-7-6-16-20-14-8-11(17)12(18)9-15(14)21-16/h2-5,8-9,19H,6-7H2,1H3,(H,20,21)
InChIKeyWXWMEQYDUOIHRL-UHFFFAOYSA-N
XLogP4.83
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-2-methylaniline?
The IUPAC name of N-[2-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-2-methylaniline (CID 82005404) is N-[2-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-2-methylaniline.
What is the SMILES notation for N-[2-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-2-methylaniline?
The canonical SMILES for N-[2-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-2-methylaniline is Cc1ccccc1NCCc1nc2cc(Cl)c(Cl)cc2[nH]1.
What is the InChIKey of N-[2-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-2-methylaniline?
The InChIKey is WXWMEQYDUOIHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3/c1-10-4-2-3-5-13(10)19-7-6-16-20-14-8-11(17)12(18)9-15(14)21-16/h2-5,8-9,19H,6-7H2,1H3,(H,20,21).
What are the key properties of N-[2-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-2-methylaniline?
N-[2-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-2-methylaniline has a molecular weight of 320.22 g/mol, XLogP of 4.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-2-methylaniline is sourced from PubChem (CID 82005404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).