3-(6-chloro-1H-benzimidazol-2-yl)-5-(1H-pyrazol-4-yl)pyridin-2-amine

C15H11ClN6 — CID 44525866

IUPAC3-(6-chloro-1H-benzimidazol-2-yl)-5-(1H-pyrazol-4-yl)pyridin-2-amine
SMILESNc1ncc(-c2cn[nH]c2)cc1-c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C15H11ClN6/c16-10-1-2-12-13(4-10)22-15(21-12)11-3-8(5-18-14(11)17)9-6-19-20-7-9/h1-7H,(H2,17,18)(H,19,20)(H,21,22)
InChIKeyVPODDMMPCWYQBT-UHFFFAOYSA-N
MW310.75 g/mol
LogP3.25
Rot. Bonds2

About 3-(6-chloro-1H-benzimidazol-2-yl)-5-(1H-pyrazol-4-yl)pyridin-2-amine

3-(6-chloro-1H-benzimidazol-2-yl)-5-(1H-pyrazol-4-yl)pyridin-2-amine (PubChem CID 44525866) has the molecular formula C15H11ClN6 and a molecular weight of 310.75 g/mol. Its IUPAC name is 3-(6-chloro-1H-benzimidazol-2-yl)-5-(1H-pyrazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-(6-chloro-1H-benzimidazol-2-yl)-5-(1H-pyrazol-4-yl)pyridin-2-amine
PubChem CID44525866
Molecular FormulaC15H11ClN6
Molecular Weight310.75 g/mol
Exact Mass310.07
IUPAC Name3-(6-chloro-1H-benzimidazol-2-yl)-5-(1H-pyrazol-4-yl)pyridin-2-amine
SMILESNc1ncc(-c2cn[nH]c2)cc1-c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C15H11ClN6/c16-10-1-2-12-13(4-10)22-15(21-12)11-3-8(5-18-14(11)17)9-6-19-20-7-9/h1-7H,(H2,17,18)(H,19,20)(H,21,22)
InChIKeyVPODDMMPCWYQBT-UHFFFAOYSA-N
XLogP3.25
TPSA96.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.75
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-1H-benzimidazol-2-yl)-5-(1H-pyrazol-4-yl)pyridin-2-amine?
The IUPAC name of 3-(6-chloro-1H-benzimidazol-2-yl)-5-(1H-pyrazol-4-yl)pyridin-2-amine (CID 44525866) is 3-(6-chloro-1H-benzimidazol-2-yl)-5-(1H-pyrazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 3-(6-chloro-1H-benzimidazol-2-yl)-5-(1H-pyrazol-4-yl)pyridin-2-amine?
The canonical SMILES for 3-(6-chloro-1H-benzimidazol-2-yl)-5-(1H-pyrazol-4-yl)pyridin-2-amine is Nc1ncc(-c2cn[nH]c2)cc1-c1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 3-(6-chloro-1H-benzimidazol-2-yl)-5-(1H-pyrazol-4-yl)pyridin-2-amine?
The InChIKey is VPODDMMPCWYQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN6/c16-10-1-2-12-13(4-10)22-15(21-12)11-3-8(5-18-14(11)17)9-6-19-20-7-9/h1-7H,(H2,17,18)(H,19,20)(H,21,22).
What are the key properties of 3-(6-chloro-1H-benzimidazol-2-yl)-5-(1H-pyrazol-4-yl)pyridin-2-amine?
3-(6-chloro-1H-benzimidazol-2-yl)-5-(1H-pyrazol-4-yl)pyridin-2-amine has a molecular weight of 310.75 g/mol, XLogP of 3.25, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-1H-benzimidazol-2-yl)-5-(1H-pyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 44525866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).