6-(benzimidazol-1-yl)-3,5-dichloro-N-ethylpyridin-2-amine

C14H12Cl2N4 — CID 102760242

IUPAC6-(benzimidazol-1-yl)-3,5-dichloro-N-ethylpyridin-2-amine
SMILESCCNc1nc(-n2cnc3ccccc32)c(Cl)cc1Cl
InChIInChI=1S/C14H12Cl2N4/c1-2-17-13-9(15)7-10(16)14(19-13)20-8-18-11-5-3-4-6-12(11)20/h3-8H,2H2,1H3,(H,17,19)
InChIKeyJTHZYIJGQIEJJG-UHFFFAOYSA-N
MW307.18 g/mol
LogP4.16
Rot. Bonds3

About 6-(benzimidazol-1-yl)-3,5-dichloro-N-ethylpyridin-2-amine

6-(benzimidazol-1-yl)-3,5-dichloro-N-ethylpyridin-2-amine (PubChem CID 102760242) has the molecular formula C14H12Cl2N4 and a molecular weight of 307.18 g/mol. Its IUPAC name is 6-(benzimidazol-1-yl)-3,5-dichloro-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name6-(benzimidazol-1-yl)-3,5-dichloro-N-ethylpyridin-2-amine
PubChem CID102760242
Molecular FormulaC14H12Cl2N4
Molecular Weight307.18 g/mol
Exact Mass306.04
IUPAC Name6-(benzimidazol-1-yl)-3,5-dichloro-N-ethylpyridin-2-amine
SMILESCCNc1nc(-n2cnc3ccccc32)c(Cl)cc1Cl
InChIInChI=1S/C14H12Cl2N4/c1-2-17-13-9(15)7-10(16)14(19-13)20-8-18-11-5-3-4-6-12(11)20/h3-8H,2H2,1H3,(H,17,19)
InChIKeyJTHZYIJGQIEJJG-UHFFFAOYSA-N
XLogP4.16
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(benzimidazol-1-yl)-5-chloro-N-ethylpyrimidin-2-amine
CID 80853710
6-(benzimidazol-1-yl)-4-N-ethylpyrimidine-4,5-diamine
CID 19135352
6-(benzimidazol-1-yl)-N-ethyl-5-nitropyridin-2-amine
CID 80841846
4-(benzimidazol-1-yl)-N-ethylpyrimidin-2-amine
CID 80854162
2-(benzimidazol-1-yl)-3-methylquinoxaline
CID 115579889
3,5-dichloro-N-ethyl-6-(1,2,4-triazol-1-yl)pyridin-2-amine
CID 102760227
3,5-dichloro-N-ethyl-6-(4-iodopyrazol-1-yl)pyridin-2-amine
CID 102760304
3-(benzimidazol-1-yl)-1-ethylquinoxalin-2-one
CID 162419791
2-[[4-(benzimidazol-1-yl)-5-chloropyrimidin-2-yl]amino]acetaldehyde
CID 146243949
3,5-dichloro-6-(3,4-dihydro-2H-quinolin-1-yl)-N-ethylpyridin-2-amine
CID 102755251
1-(2-tert-butyl-6-chloropyrimidin-4-yl)benzimidazole
CID 80951246
3,5,6-trichloro-N-ethylpyridin-2-amine
CID 102750177

Frequently Asked Questions

What is the IUPAC name of 6-(benzimidazol-1-yl)-3,5-dichloro-N-ethylpyridin-2-amine?
The IUPAC name of 6-(benzimidazol-1-yl)-3,5-dichloro-N-ethylpyridin-2-amine (CID 102760242) is 6-(benzimidazol-1-yl)-3,5-dichloro-N-ethylpyridin-2-amine.
What is the SMILES notation for 6-(benzimidazol-1-yl)-3,5-dichloro-N-ethylpyridin-2-amine?
The canonical SMILES for 6-(benzimidazol-1-yl)-3,5-dichloro-N-ethylpyridin-2-amine is CCNc1nc(-n2cnc3ccccc32)c(Cl)cc1Cl.
What is the InChIKey of 6-(benzimidazol-1-yl)-3,5-dichloro-N-ethylpyridin-2-amine?
The InChIKey is JTHZYIJGQIEJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N4/c1-2-17-13-9(15)7-10(16)14(19-13)20-8-18-11-5-3-4-6-12(11)20/h3-8H,2H2,1H3,(H,17,19).
What are the key properties of 6-(benzimidazol-1-yl)-3,5-dichloro-N-ethylpyridin-2-amine?
6-(benzimidazol-1-yl)-3,5-dichloro-N-ethylpyridin-2-amine has a molecular weight of 307.18 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzimidazol-1-yl)-3,5-dichloro-N-ethylpyridin-2-amine is sourced from PubChem (CID 102760242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).