methyl 1-(1-cyclopropyl-5,6-difluorobenzimidazol-2-yl)imidazo[4,5-c]pyridine-6-carboxylate

C18H13F2N5O2 — CID 154643504

IUPACmethyl 1-(1-cyclopropyl-5,6-difluorobenzimidazol-2-yl)imidazo[4,5-c]pyridine-6-carboxylate
SMILESCOC(=O)c1cc2c(cn1)ncn2-c1nc2cc(F)c(F)cc2n1C1CC1
InChIInChI=1S/C18H13F2N5O2/c1-27-17(26)13-6-15-14(7-21-13)22-8-24(15)18-23-12-4-10(19)11(20)5-16(12)25(18)9-2-3-9/h4-9H,2-3H2,1H3
InChIKeyWRJPNCJRHFVECR-UHFFFAOYSA-N
MW369.33 g/mol
LogP3.17
Rot. Bonds3

About methyl 1-(1-cyclopropyl-5,6-difluorobenzimidazol-2-yl)imidazo[4,5-c]pyridine-6-carboxylate

methyl 1-(1-cyclopropyl-5,6-difluorobenzimidazol-2-yl)imidazo[4,5-c]pyridine-6-carboxylate (PubChem CID 154643504) has the molecular formula C18H13F2N5O2 and a molecular weight of 369.33 g/mol. Its IUPAC name is methyl 1-(1-cyclopropyl-5,6-difluorobenzimidazol-2-yl)imidazo[4,5-c]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 1-(1-cyclopropyl-5,6-difluorobenzimidazol-2-yl)imidazo[4,5-c]pyridine-6-carboxylate
PubChem CID154643504
Molecular FormulaC18H13F2N5O2
Molecular Weight369.33 g/mol
Exact Mass369.10
IUPAC Namemethyl 1-(1-cyclopropyl-5,6-difluorobenzimidazol-2-yl)imidazo[4,5-c]pyridine-6-carboxylate
SMILESCOC(=O)c1cc2c(cn1)ncn2-c1nc2cc(F)c(F)cc2n1C1CC1
InChIInChI=1S/C18H13F2N5O2/c1-27-17(26)13-6-15-14(7-21-13)22-8-24(15)18-23-12-4-10(19)11(20)5-16(12)25(18)9-2-3-9/h4-9H,2-3H2,1H3
InChIKeyWRJPNCJRHFVECR-UHFFFAOYSA-N
XLogP3.17
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.33
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 1-(1-cyclopropyl-5,6-difluorobenzimidazol-2-yl)imidazo[4,5-c]pyridine-6-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(1-cyclopropyl-5,6-difluorobenzimidazol-2-yl)imidazo[4,5-c]pyridine-6-carboxylate?
The IUPAC name of methyl 1-(1-cyclopropyl-5,6-difluorobenzimidazol-2-yl)imidazo[4,5-c]pyridine-6-carboxylate (CID 154643504) is methyl 1-(1-cyclopropyl-5,6-difluorobenzimidazol-2-yl)imidazo[4,5-c]pyridine-6-carboxylate.
What is the SMILES notation for methyl 1-(1-cyclopropyl-5,6-difluorobenzimidazol-2-yl)imidazo[4,5-c]pyridine-6-carboxylate?
The canonical SMILES for methyl 1-(1-cyclopropyl-5,6-difluorobenzimidazol-2-yl)imidazo[4,5-c]pyridine-6-carboxylate is COC(=O)c1cc2c(cn1)ncn2-c1nc2cc(F)c(F)cc2n1C1CC1.
What is the InChIKey of methyl 1-(1-cyclopropyl-5,6-difluorobenzimidazol-2-yl)imidazo[4,5-c]pyridine-6-carboxylate?
The InChIKey is WRJPNCJRHFVECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N5O2/c1-27-17(26)13-6-15-14(7-21-13)22-8-24(15)18-23-12-4-10(19)11(20)5-16(12)25(18)9-2-3-9/h4-9H,2-3H2,1H3.
What are the key properties of methyl 1-(1-cyclopropyl-5,6-difluorobenzimidazol-2-yl)imidazo[4,5-c]pyridine-6-carboxylate?
methyl 1-(1-cyclopropyl-5,6-difluorobenzimidazol-2-yl)imidazo[4,5-c]pyridine-6-carboxylate has a molecular weight of 369.33 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(1-cyclopropyl-5,6-difluorobenzimidazol-2-yl)imidazo[4,5-c]pyridine-6-carboxylate is sourced from PubChem (CID 154643504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).