5-chloro-6-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pyridin-3-amine

C12H13ClN4 — CID 114046358

IUPAC5-chloro-6-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pyridin-3-amine
SMILESNc1cnc(-n2cnc3c2CCCC3)c(Cl)c1
InChIInChI=1S/C12H13ClN4/c13-9-5-8(14)6-15-12(9)17-7-16-10-3-1-2-4-11(10)17/h5-7H,1-4,14H2
InChIKeyYVXGUTBWTOKBKL-UHFFFAOYSA-N
MW248.72 g/mol
LogP2.38
Rot. Bonds1

About 5-chloro-6-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pyridin-3-amine

5-chloro-6-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pyridin-3-amine (PubChem CID 114046358) has the molecular formula C12H13ClN4 and a molecular weight of 248.72 g/mol. Its IUPAC name is 5-chloro-6-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pyridin-3-amine.

Molecular Properties

Compound Name5-chloro-6-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pyridin-3-amine
PubChem CID114046358
Molecular FormulaC12H13ClN4
Molecular Weight248.72 g/mol
Exact Mass248.08
IUPAC Name5-chloro-6-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pyridin-3-amine
SMILESNc1cnc(-n2cnc3c2CCCC3)c(Cl)c1
InChIInChI=1S/C12H13ClN4/c13-9-5-8(14)6-15-12(9)17-7-16-10-3-1-2-4-11(10)17/h5-7H,1-4,14H2
InChIKeyYVXGUTBWTOKBKL-UHFFFAOYSA-N
XLogP2.38
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.72
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pyridin-3-amine?
The IUPAC name of 5-chloro-6-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pyridin-3-amine (CID 114046358) is 5-chloro-6-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pyridin-3-amine.
What is the SMILES notation for 5-chloro-6-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pyridin-3-amine?
The canonical SMILES for 5-chloro-6-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pyridin-3-amine is Nc1cnc(-n2cnc3c2CCCC3)c(Cl)c1.
What is the InChIKey of 5-chloro-6-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pyridin-3-amine?
The InChIKey is YVXGUTBWTOKBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4/c13-9-5-8(14)6-15-12(9)17-7-16-10-3-1-2-4-11(10)17/h5-7H,1-4,14H2.
What are the key properties of 5-chloro-6-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pyridin-3-amine?
5-chloro-6-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pyridin-3-amine has a molecular weight of 248.72 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pyridin-3-amine is sourced from PubChem (CID 114046358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).