2-(5,6-dichloro-2-pyridin-3-ylbenzimidazol-1-yl)ethanamine

C14H12Cl2N4 — CID 94749231

IUPAC2-(5,6-dichloro-2-pyridin-3-ylbenzimidazol-1-yl)ethanamine
SMILESNCCn1c(-c2cccnc2)nc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C14H12Cl2N4/c15-10-6-12-13(7-11(10)16)20(5-3-17)14(19-12)9-2-1-4-18-8-9/h1-2,4,6-8H,3,5,17H2
InChIKeyHENJVXSYAAKFHD-UHFFFAOYSA-N
MW307.18 g/mol
LogP3.36
Rot. Bonds3

About 2-(5,6-dichloro-2-pyridin-3-ylbenzimidazol-1-yl)ethanamine

2-(5,6-dichloro-2-pyridin-3-ylbenzimidazol-1-yl)ethanamine (PubChem CID 94749231) has the molecular formula C14H12Cl2N4 and a molecular weight of 307.18 g/mol. Its IUPAC name is 2-(5,6-dichloro-2-pyridin-3-ylbenzimidazol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(5,6-dichloro-2-pyridin-3-ylbenzimidazol-1-yl)ethanamine
PubChem CID94749231
Molecular FormulaC14H12Cl2N4
Molecular Weight307.18 g/mol
Exact Mass306.04
IUPAC Name2-(5,6-dichloro-2-pyridin-3-ylbenzimidazol-1-yl)ethanamine
SMILESNCCn1c(-c2cccnc2)nc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C14H12Cl2N4/c15-10-6-12-13(7-11(10)16)20(5-3-17)14(19-12)9-2-1-4-18-8-9/h1-2,4,6-8H,3,5,17H2
InChIKeyHENJVXSYAAKFHD-UHFFFAOYSA-N
XLogP3.36
TPSA56.73 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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-pyridin-3-ylbenzimidazol-1-yl)ethanamine
CID 28752905
2-(2-pyridin-3-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)ethanamine
CID 82145913
3-(5,6-dichloro-2-pyridin-4-ylbenzimidazol-1-yl)propan-1-amine
CID 94749237
2-[2-(5,6-dimethyl-2-pyridin-3-ylbenzimidazol-1-yl)ethoxy]ethanamine
CID 94748156
5-chloro-1-methyl-2-pyridin-3-ylbenzimidazole
CID 10966745
2-[2-(4-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]ethanamine
CID 82145276
2-[5,6-dichloro-2-(3-methylphenyl)benzimidazol-1-yl]ethanol
CID 94755758
1-prop-2-enyl-2-pyridin-3-ylbenzimidazol-5-amine
CID 83969024
2-(5-methyl-2-pyridin-3-ylimidazol-1-yl)ethanamine;dihydrochloride
CID 146064771
2-[5,6-dichloro-2-(3-fluorophenyl)benzimidazol-1-yl]ethanol
CID 82149458
3-(5,6-dichloro-2-pyridin-4-ylbenzimidazol-1-yl)propanenitrile
CID 94749240
2-(5,6-dimethoxy-2-phenylbenzimidazol-1-yl)ethanamine
CID 82145483

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dichloro-2-pyridin-3-ylbenzimidazol-1-yl)ethanamine?
The IUPAC name of 2-(5,6-dichloro-2-pyridin-3-ylbenzimidazol-1-yl)ethanamine (CID 94749231) is 2-(5,6-dichloro-2-pyridin-3-ylbenzimidazol-1-yl)ethanamine.
What is the SMILES notation for 2-(5,6-dichloro-2-pyridin-3-ylbenzimidazol-1-yl)ethanamine?
The canonical SMILES for 2-(5,6-dichloro-2-pyridin-3-ylbenzimidazol-1-yl)ethanamine is NCCn1c(-c2cccnc2)nc2cc(Cl)c(Cl)cc21.
What is the InChIKey of 2-(5,6-dichloro-2-pyridin-3-ylbenzimidazol-1-yl)ethanamine?
The InChIKey is HENJVXSYAAKFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N4/c15-10-6-12-13(7-11(10)16)20(5-3-17)14(19-12)9-2-1-4-18-8-9/h1-2,4,6-8H,3,5,17H2.
What are the key properties of 2-(5,6-dichloro-2-pyridin-3-ylbenzimidazol-1-yl)ethanamine?
2-(5,6-dichloro-2-pyridin-3-ylbenzimidazol-1-yl)ethanamine has a molecular weight of 307.18 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dichloro-2-pyridin-3-ylbenzimidazol-1-yl)ethanamine is sourced from PubChem (CID 94749231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).