5-chloro-N-cyclohexyl-4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]pyridin-2-amine

C25H24ClFN4 — CID 141418314

IUPAC5-chloro-N-cyclohexyl-4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]pyridin-2-amine
SMILESFc1cccc(Cn2cnc3ccc(-c4cc(NC5CCCCC5)ncc4Cl)cc32)c1
InChIInChI=1S/C25H24ClFN4/c26-22-14-28-25(30-20-7-2-1-3-8-20)13-21(22)18-9-10-23-24(12-18)31(16-29-23)15-17-5-4-6-19(27)11-17/h4-6,9-14,16,20H,1-3,7-8,15H2,(H,28,30)
InChIKeyFPYYFFHQMKVNPF-UHFFFAOYSA-N
MW434.95 g/mol
LogP6.68
Rot. Bonds5

About 5-chloro-N-cyclohexyl-4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]pyridin-2-amine

5-chloro-N-cyclohexyl-4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]pyridin-2-amine (PubChem CID 141418314) has the molecular formula C25H24ClFN4 and a molecular weight of 434.95 g/mol. Its IUPAC name is 5-chloro-N-cyclohexyl-4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-cyclohexyl-4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]pyridin-2-amine
PubChem CID141418314
Molecular FormulaC25H24ClFN4
Molecular Weight434.95 g/mol
Exact Mass434.17
IUPAC Name5-chloro-N-cyclohexyl-4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]pyridin-2-amine
SMILESFc1cccc(Cn2cnc3ccc(-c4cc(NC5CCCCC5)ncc4Cl)cc32)c1
InChIInChI=1S/C25H24ClFN4/c26-22-14-28-25(30-20-7-2-1-3-8-20)13-21(22)18-9-10-23-24(12-18)31(16-29-23)15-17-5-4-6-19(27)11-17/h4-6,9-14,16,20H,1-3,7-8,15H2,(H,28,30)
InChIKeyFPYYFFHQMKVNPF-UHFFFAOYSA-N
XLogP6.68
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.95
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclohexyl-4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]pyridin-2-amine?
The IUPAC name of 5-chloro-N-cyclohexyl-4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]pyridin-2-amine (CID 141418314) is 5-chloro-N-cyclohexyl-4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-cyclohexyl-4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]pyridin-2-amine?
The canonical SMILES for 5-chloro-N-cyclohexyl-4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]pyridin-2-amine is Fc1cccc(Cn2cnc3ccc(-c4cc(NC5CCCCC5)ncc4Cl)cc32)c1.
What is the InChIKey of 5-chloro-N-cyclohexyl-4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]pyridin-2-amine?
The InChIKey is FPYYFFHQMKVNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClFN4/c26-22-14-28-25(30-20-7-2-1-3-8-20)13-21(22)18-9-10-23-24(12-18)31(16-29-23)15-17-5-4-6-19(27)11-17/h4-6,9-14,16,20H,1-3,7-8,15H2,(H,28,30).
What are the key properties of 5-chloro-N-cyclohexyl-4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]pyridin-2-amine?
5-chloro-N-cyclohexyl-4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]pyridin-2-amine has a molecular weight of 434.95 g/mol, XLogP of 6.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclohexyl-4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 141418314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).