methyl 1-cyclopropyl-6-fluoro-2-pyridin-2-ylbenzimidazole-5-carboxylate

C17H14FN3O2 — CID 175838523

IUPACmethyl 1-cyclopropyl-6-fluoro-2-pyridin-2-ylbenzimidazole-5-carboxylate
SMILESCOC(=O)c1cc2nc(-c3ccccn3)n(C3CC3)c2cc1F
InChIInChI=1S/C17H14FN3O2/c1-23-17(22)11-8-14-15(9-12(11)18)21(10-5-6-10)16(20-14)13-4-2-3-7-19-13/h2-4,7-10H,5-6H2,1H3
InChIKeyOARQKUCFXBBBKS-UHFFFAOYSA-N
MW311.32 g/mol
LogP3.36
Rot. Bonds3

About methyl 1-cyclopropyl-6-fluoro-2-pyridin-2-ylbenzimidazole-5-carboxylate

methyl 1-cyclopropyl-6-fluoro-2-pyridin-2-ylbenzimidazole-5-carboxylate (PubChem CID 175838523) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is methyl 1-cyclopropyl-6-fluoro-2-pyridin-2-ylbenzimidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-cyclopropyl-6-fluoro-2-pyridin-2-ylbenzimidazole-5-carboxylate
PubChem CID175838523
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC Namemethyl 1-cyclopropyl-6-fluoro-2-pyridin-2-ylbenzimidazole-5-carboxylate
SMILESCOC(=O)c1cc2nc(-c3ccccn3)n(C3CC3)c2cc1F
InChIInChI=1S/C17H14FN3O2/c1-23-17(22)11-8-14-15(9-12(11)18)21(10-5-6-10)16(20-14)13-4-2-3-7-19-13/h2-4,7-10H,5-6H2,1H3
InChIKeyOARQKUCFXBBBKS-UHFFFAOYSA-N
XLogP3.36
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Brd4770
CID 72193870
1-Isopropyl-1H-benzoimidazole-5-carboxylic acid
CID 4712703
ethyl 2-[4-(1-piperidyl)phenyl]-1H-benzimidazole-5-carboxylate
CID 126720627
2-Methyl-1-phenyl-1H-benzimidazole-5-carboxylic acid
CID 619926
Methyl 1-phenyl-1H-benzo[d]imidazole-5-carboxylate
CID 5328469
4-(5-Pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)benzoic acid
CID 146315981
Methyl 4-(7-fluoro-6-pyridin-4-ylbenzimidazol-1-yl)benzoate
CID 146316027
Ethyl 1-ethyl-2-methyl-1H-benzimidazole-5-carboxylate
CID 690728
1-Methyl-1H-benzimidazole-5-carboxylic acid
CID 4913063
1-Cyclohexylbenzodiazole-5-carboxylic acid
CID 513903
Methyl 4-(benzimidazol-1-yl)benzoate
CID 5328451
1-Phenyl-1H-benzoimidazole-5-carboxylic acid
CID 5328468

Frequently Asked Questions

What is the IUPAC name of methyl 1-cyclopropyl-6-fluoro-2-pyridin-2-ylbenzimidazole-5-carboxylate?
The IUPAC name of methyl 1-cyclopropyl-6-fluoro-2-pyridin-2-ylbenzimidazole-5-carboxylate (CID 175838523) is methyl 1-cyclopropyl-6-fluoro-2-pyridin-2-ylbenzimidazole-5-carboxylate.
What is the SMILES notation for methyl 1-cyclopropyl-6-fluoro-2-pyridin-2-ylbenzimidazole-5-carboxylate?
The canonical SMILES for methyl 1-cyclopropyl-6-fluoro-2-pyridin-2-ylbenzimidazole-5-carboxylate is COC(=O)c1cc2nc(-c3ccccn3)n(C3CC3)c2cc1F.
What is the InChIKey of methyl 1-cyclopropyl-6-fluoro-2-pyridin-2-ylbenzimidazole-5-carboxylate?
The InChIKey is OARQKUCFXBBBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2/c1-23-17(22)11-8-14-15(9-12(11)18)21(10-5-6-10)16(20-14)13-4-2-3-7-19-13/h2-4,7-10H,5-6H2,1H3.
What are the key properties of methyl 1-cyclopropyl-6-fluoro-2-pyridin-2-ylbenzimidazole-5-carboxylate?
methyl 1-cyclopropyl-6-fluoro-2-pyridin-2-ylbenzimidazole-5-carboxylate has a molecular weight of 311.32 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-cyclopropyl-6-fluoro-2-pyridin-2-ylbenzimidazole-5-carboxylate is sourced from PubChem (CID 175838523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).