6-[(2,4-dichloro-6-fluorobenzimidazol-1-yl)methyl]pyridine-3-carbonitrile

C14H7Cl2FN4 — CID 155154550

IUPAC6-[(2,4-dichloro-6-fluorobenzimidazol-1-yl)methyl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(Cn2c(Cl)nc3c(Cl)cc(F)cc32)nc1
InChIInChI=1S/C14H7Cl2FN4/c15-11-3-9(17)4-12-13(11)20-14(16)21(12)7-10-2-1-8(5-18)6-19-10/h1-4,6H,7H2
InChIKeySRISMCDXJPMWPW-UHFFFAOYSA-N
MW321.14 g/mol
LogP3.80
Rot. Bonds2

About 6-[(2,4-dichloro-6-fluorobenzimidazol-1-yl)methyl]pyridine-3-carbonitrile

6-[(2,4-dichloro-6-fluorobenzimidazol-1-yl)methyl]pyridine-3-carbonitrile (PubChem CID 155154550) has the molecular formula C14H7Cl2FN4 and a molecular weight of 321.14 g/mol. Its IUPAC name is 6-[(2,4-dichloro-6-fluorobenzimidazol-1-yl)methyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(2,4-dichloro-6-fluorobenzimidazol-1-yl)methyl]pyridine-3-carbonitrile
PubChem CID155154550
Molecular FormulaC14H7Cl2FN4
Molecular Weight321.14 g/mol
Exact Mass320.00
IUPAC Name6-[(2,4-dichloro-6-fluorobenzimidazol-1-yl)methyl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(Cn2c(Cl)nc3c(Cl)cc(F)cc32)nc1
InChIInChI=1S/C14H7Cl2FN4/c15-11-3-9(17)4-12-13(11)20-14(16)21(12)7-10-2-1-8(5-18)6-19-10/h1-4,6H,7H2
InChIKeySRISMCDXJPMWPW-UHFFFAOYSA-N
XLogP3.80
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.14
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,4-dichloro-6-fluorobenzimidazol-1-yl)methyl]pyridine-3-carbonitrile?
The IUPAC name of 6-[(2,4-dichloro-6-fluorobenzimidazol-1-yl)methyl]pyridine-3-carbonitrile (CID 155154550) is 6-[(2,4-dichloro-6-fluorobenzimidazol-1-yl)methyl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(2,4-dichloro-6-fluorobenzimidazol-1-yl)methyl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(2,4-dichloro-6-fluorobenzimidazol-1-yl)methyl]pyridine-3-carbonitrile is N#Cc1ccc(Cn2c(Cl)nc3c(Cl)cc(F)cc32)nc1.
What is the InChIKey of 6-[(2,4-dichloro-6-fluorobenzimidazol-1-yl)methyl]pyridine-3-carbonitrile?
The InChIKey is SRISMCDXJPMWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2FN4/c15-11-3-9(17)4-12-13(11)20-14(16)21(12)7-10-2-1-8(5-18)6-19-10/h1-4,6H,7H2.
What are the key properties of 6-[(2,4-dichloro-6-fluorobenzimidazol-1-yl)methyl]pyridine-3-carbonitrile?
6-[(2,4-dichloro-6-fluorobenzimidazol-1-yl)methyl]pyridine-3-carbonitrile has a molecular weight of 321.14 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,4-dichloro-6-fluorobenzimidazol-1-yl)methyl]pyridine-3-carbonitrile is sourced from PubChem (CID 155154550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).