1-cyclopropyl-5,6-difluoro-2-(4-methoxy-5-methyl-3-pyridinyl)benzimidazole

C17H15F2N3O — CID 56646158

IUPAC1-cyclopropyl-5,6-difluoro-2-(4-methoxy-5-methyl-3-pyridinyl)benzimidazole
SMILESCOc1c(C)cncc1-c1nc2cc(F)c(F)cc2n1C1CC1
InChIInChI=1S/C17H15F2N3O/c1-9-7-20-8-11(16(9)23-2)17-21-14-5-12(18)13(19)6-15(14)22(17)10-3-4-10/h5-8,10H,3-4H2,1-2H3
InChIKeyQSGVJMQPMAYMHC-UHFFFAOYSA-N
MW315.32 g/mol
LogP4.03
Rot. Bonds3

About 1-cyclopropyl-5,6-difluoro-2-(4-methoxy-5-methyl-3-pyridinyl)benzimidazole

1-cyclopropyl-5,6-difluoro-2-(4-methoxy-5-methyl-3-pyridinyl)benzimidazole (PubChem CID 56646158) has the molecular formula C17H15F2N3O and a molecular weight of 315.32 g/mol. Its IUPAC name is 1-cyclopropyl-5,6-difluoro-2-(4-methoxy-5-methyl-3-pyridinyl)benzimidazole.

Molecular Properties

Compound Name1-cyclopropyl-5,6-difluoro-2-(4-methoxy-5-methyl-3-pyridinyl)benzimidazole
PubChem CID56646158
Molecular FormulaC17H15F2N3O
Molecular Weight315.32 g/mol
Exact Mass315.12
IUPAC Name1-cyclopropyl-5,6-difluoro-2-(4-methoxy-5-methyl-3-pyridinyl)benzimidazole
SMILESCOc1c(C)cncc1-c1nc2cc(F)c(F)cc2n1C1CC1
InChIInChI=1S/C17H15F2N3O/c1-9-7-20-8-11(16(9)23-2)17-21-14-5-12(18)13(19)6-15(14)22(17)10-3-4-10/h5-8,10H,3-4H2,1-2H3
InChIKeyQSGVJMQPMAYMHC-UHFFFAOYSA-N
XLogP4.03
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5,6-difluoro-2-(4-methoxy-5-methyl-3-pyridinyl)benzimidazole?
The IUPAC name of 1-cyclopropyl-5,6-difluoro-2-(4-methoxy-5-methyl-3-pyridinyl)benzimidazole (CID 56646158) is 1-cyclopropyl-5,6-difluoro-2-(4-methoxy-5-methyl-3-pyridinyl)benzimidazole.
What is the SMILES notation for 1-cyclopropyl-5,6-difluoro-2-(4-methoxy-5-methyl-3-pyridinyl)benzimidazole?
The canonical SMILES for 1-cyclopropyl-5,6-difluoro-2-(4-methoxy-5-methyl-3-pyridinyl)benzimidazole is COc1c(C)cncc1-c1nc2cc(F)c(F)cc2n1C1CC1.
What is the InChIKey of 1-cyclopropyl-5,6-difluoro-2-(4-methoxy-5-methyl-3-pyridinyl)benzimidazole?
The InChIKey is QSGVJMQPMAYMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O/c1-9-7-20-8-11(16(9)23-2)17-21-14-5-12(18)13(19)6-15(14)22(17)10-3-4-10/h5-8,10H,3-4H2,1-2H3.
What are the key properties of 1-cyclopropyl-5,6-difluoro-2-(4-methoxy-5-methyl-3-pyridinyl)benzimidazole?
1-cyclopropyl-5,6-difluoro-2-(4-methoxy-5-methyl-3-pyridinyl)benzimidazole has a molecular weight of 315.32 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5,6-difluoro-2-(4-methoxy-5-methyl-3-pyridinyl)benzimidazole is sourced from PubChem (CID 56646158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).