(5-chloro-3-pyridinyl) 2-methyl-1H-benzimidazole-4-carboxylate

C14H10ClN3O2 — CID 156907348

IUPAC(5-chloro-3-pyridinyl) 2-methyl-1H-benzimidazole-4-carboxylate
SMILESCc1nc2c(C(=O)Oc3cncc(Cl)c3)cccc2[nH]1
InChIInChI=1S/C14H10ClN3O2/c1-8-17-12-4-2-3-11(13(12)18-8)14(19)20-10-5-9(15)6-16-7-10/h2-7H,1H3,(H,17,18)
InChIKeyAACQFULNEYOPJK-UHFFFAOYSA-N
MW287.71 g/mol
LogP3.14
Rot. Bonds2

About (5-chloro-3-pyridinyl) 2-methyl-1H-benzimidazole-4-carboxylate

(5-chloro-3-pyridinyl) 2-methyl-1H-benzimidazole-4-carboxylate (PubChem CID 156907348) has the molecular formula C14H10ClN3O2 and a molecular weight of 287.71 g/mol. Its IUPAC name is (5-chloro-3-pyridinyl) 2-methyl-1H-benzimidazole-4-carboxylate.

Molecular Properties

Compound Name(5-chloro-3-pyridinyl) 2-methyl-1H-benzimidazole-4-carboxylate
PubChem CID156907348
Molecular FormulaC14H10ClN3O2
Molecular Weight287.71 g/mol
Exact Mass287.05
IUPAC Name(5-chloro-3-pyridinyl) 2-methyl-1H-benzimidazole-4-carboxylate
SMILESCc1nc2c(C(=O)Oc3cncc(Cl)c3)cccc2[nH]1
InChIInChI=1S/C14H10ClN3O2/c1-8-17-12-4-2-3-11(13(12)18-8)14(19)20-10-5-9(15)6-16-7-10/h2-7H,1H3,(H,17,18)
InChIKeyAACQFULNEYOPJK-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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Related Compounds

Indole chloropyridinyl-ester derived, 7j
CID 156907347
2-cyclopropyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-1H-benzimidazole-4-carboxamide
CID 22663188
5-chloropyridin-3-yl 1H-indole-7-carboxylate
CID 44580152
Indole chloropyridinyl-ester derived, 9f
CID 156907355
3-methyl-3H-imidazo[4,5-b]pyridin-6-yl benzoate
CID 53322367
N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-propan-2-yl-1H-benzimidazole-4-carboxamide
CID 22663199
2-cyclopentyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-1H-benzimidazole-4-carboxamide
CID 22663201
2-benzyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-1H-benzimidazole-4-carboxamide
CID 22663228
N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-(methoxymethyl)-1H-benzimidazole-4-carboxamide
CID 22663297
N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-(2-phenylethyl)-1H-benzimidazole-4-carboxamide
CID 22663307
N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-methyl-1H-benzimidazole-4-carboxamide
CID 22663370
2-(4-pyridin-3-yloxyphenyl)-3H-benzimidazole-5-carboxamide
CID 10268412

Frequently Asked Questions

What is the IUPAC name of (5-chloro-3-pyridinyl) 2-methyl-1H-benzimidazole-4-carboxylate?
The IUPAC name of (5-chloro-3-pyridinyl) 2-methyl-1H-benzimidazole-4-carboxylate (CID 156907348) is (5-chloro-3-pyridinyl) 2-methyl-1H-benzimidazole-4-carboxylate.
What is the SMILES notation for (5-chloro-3-pyridinyl) 2-methyl-1H-benzimidazole-4-carboxylate?
The canonical SMILES for (5-chloro-3-pyridinyl) 2-methyl-1H-benzimidazole-4-carboxylate is Cc1nc2c(C(=O)Oc3cncc(Cl)c3)cccc2[nH]1.
What is the InChIKey of (5-chloro-3-pyridinyl) 2-methyl-1H-benzimidazole-4-carboxylate?
The InChIKey is AACQFULNEYOPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2/c1-8-17-12-4-2-3-11(13(12)18-8)14(19)20-10-5-9(15)6-16-7-10/h2-7H,1H3,(H,17,18).
What are the key properties of (5-chloro-3-pyridinyl) 2-methyl-1H-benzimidazole-4-carboxylate?
(5-chloro-3-pyridinyl) 2-methyl-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-3-pyridinyl) 2-methyl-1H-benzimidazole-4-carboxylate is sourced from PubChem (CID 156907348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).