2-(2,4-difluorophenyl)-N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]pyridine-4-carboxamide

C25H22F2N4O2 — CID 139447705

IUPAC2-(2,4-difluorophenyl)-N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]pyridine-4-carboxamide
SMILESO=C(Nc1nc2ccccc2n1C1CCC(O)CC1)c1ccnc(-c2ccc(F)cc2F)c1
InChIInChI=1S/C25H22F2N4O2/c26-16-5-10-19(20(27)14-16)22-13-15(11-12-28-22)24(33)30-25-29-21-3-1-2-4-23(21)31(25)17-6-8-18(32)9-7-17/h1-5,10-14,17-18,32H,6-9H2,(H,29,30,33)
InChIKeyHKRCPDWUCJCKOF-UHFFFAOYSA-N
MW448.47 g/mol
LogP5.10
Rot. Bonds4

About 2-(2,4-difluorophenyl)-N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]pyridine-4-carboxamide

2-(2,4-difluorophenyl)-N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]pyridine-4-carboxamide (PubChem CID 139447705) has the molecular formula C25H22F2N4O2 and a molecular weight of 448.47 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]pyridine-4-carboxamide
PubChem CID139447705
Molecular FormulaC25H22F2N4O2
Molecular Weight448.47 g/mol
Exact Mass448.17
IUPAC Name2-(2,4-difluorophenyl)-N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]pyridine-4-carboxamide
SMILESO=C(Nc1nc2ccccc2n1C1CCC(O)CC1)c1ccnc(-c2ccc(F)cc2F)c1
InChIInChI=1S/C25H22F2N4O2/c26-16-5-10-19(20(27)14-16)22-13-15(11-12-28-22)24(33)30-25-29-21-3-1-2-4-23(21)31(25)17-6-8-18(32)9-7-17/h1-5,10-14,17-18,32H,6-9H2,(H,29,30,33)
InChIKeyHKRCPDWUCJCKOF-UHFFFAOYSA-N
XLogP5.10
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.47
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]pyridine-4-carboxamide?
The IUPAC name of 2-(2,4-difluorophenyl)-N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]pyridine-4-carboxamide (CID 139447705) is 2-(2,4-difluorophenyl)-N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)-N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-(2,4-difluorophenyl)-N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]pyridine-4-carboxamide is O=C(Nc1nc2ccccc2n1C1CCC(O)CC1)c1ccnc(-c2ccc(F)cc2F)c1.
What is the InChIKey of 2-(2,4-difluorophenyl)-N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]pyridine-4-carboxamide?
The InChIKey is HKRCPDWUCJCKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N4O2/c26-16-5-10-19(20(27)14-16)22-13-15(11-12-28-22)24(33)30-25-29-21-3-1-2-4-23(21)31(25)17-6-8-18(32)9-7-17/h1-5,10-14,17-18,32H,6-9H2,(H,29,30,33).
What are the key properties of 2-(2,4-difluorophenyl)-N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]pyridine-4-carboxamide?
2-(2,4-difluorophenyl)-N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]pyridine-4-carboxamide has a molecular weight of 448.47 g/mol, XLogP of 5.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 139447705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).