(5-chloro-6-methyl-3-pyridinyl) 1H-benzimidazole-4-carboxylate

C14H10ClN3O2 — CID 156907355

IUPAC(5-chloro-6-methyl-3-pyridinyl) 1H-benzimidazole-4-carboxylate
SMILESCc1ncc(OC(=O)c2cccc3[nH]cnc23)cc1Cl
InChIInChI=1S/C14H10ClN3O2/c1-8-11(15)5-9(6-16-8)20-14(19)10-3-2-4-12-13(10)18-7-17-12/h2-7H,1H3,(H,17,18)
InChIKeyGZBQXSVLOSJLRV-UHFFFAOYSA-N
MW287.71 g/mol
LogP3.14
Rot. Bonds2

About (5-chloro-6-methyl-3-pyridinyl) 1H-benzimidazole-4-carboxylate

(5-chloro-6-methyl-3-pyridinyl) 1H-benzimidazole-4-carboxylate (PubChem CID 156907355) has the molecular formula C14H10ClN3O2 and a molecular weight of 287.71 g/mol. Its IUPAC name is (5-chloro-6-methyl-3-pyridinyl) 1H-benzimidazole-4-carboxylate.

Molecular Properties

Compound Name(5-chloro-6-methyl-3-pyridinyl) 1H-benzimidazole-4-carboxylate
PubChem CID156907355
Molecular FormulaC14H10ClN3O2
Molecular Weight287.71 g/mol
Exact Mass287.05
IUPAC Name(5-chloro-6-methyl-3-pyridinyl) 1H-benzimidazole-4-carboxylate
SMILESCc1ncc(OC(=O)c2cccc3[nH]cnc23)cc1Cl
InChIInChI=1S/C14H10ClN3O2/c1-8-11(15)5-9(6-16-8)20-14(19)10-3-2-4-12-13(10)18-7-17-12/h2-7H,1H3,(H,17,18)
InChIKeyGZBQXSVLOSJLRV-UHFFFAOYSA-N
XLogP3.14
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-6-methyl-3-pyridinyl) 1H-benzimidazole-4-carboxylate?
The IUPAC name of (5-chloro-6-methyl-3-pyridinyl) 1H-benzimidazole-4-carboxylate (CID 156907355) is (5-chloro-6-methyl-3-pyridinyl) 1H-benzimidazole-4-carboxylate.
What is the SMILES notation for (5-chloro-6-methyl-3-pyridinyl) 1H-benzimidazole-4-carboxylate?
The canonical SMILES for (5-chloro-6-methyl-3-pyridinyl) 1H-benzimidazole-4-carboxylate is Cc1ncc(OC(=O)c2cccc3[nH]cnc23)cc1Cl.
What is the InChIKey of (5-chloro-6-methyl-3-pyridinyl) 1H-benzimidazole-4-carboxylate?
The InChIKey is GZBQXSVLOSJLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2/c1-8-11(15)5-9(6-16-8)20-14(19)10-3-2-4-12-13(10)18-7-17-12/h2-7H,1H3,(H,17,18).
What are the key properties of (5-chloro-6-methyl-3-pyridinyl) 1H-benzimidazole-4-carboxylate?
(5-chloro-6-methyl-3-pyridinyl) 1H-benzimidazole-4-carboxylate has a molecular weight of 287.71 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-6-methyl-3-pyridinyl) 1H-benzimidazole-4-carboxylate is sourced from PubChem (CID 156907355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).