4-fluoro-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-pyridin-2-yloxybenzimidazol-2-yl]benzamide

C29H30FN5O3 — CID 56650693

IUPAC4-fluoro-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-pyridin-2-yloxybenzimidazol-2-yl]benzamide
SMILESCC(C)NC(=O)C1CCC(n2c(NC(=O)c3ccc(F)cc3)nc3ccc(Oc4ccccn4)cc32)CC1
InChIInChI=1S/C29H30FN5O3/c1-18(2)32-27(36)20-8-12-22(13-9-20)35-25-17-23(38-26-5-3-4-16-31-26)14-15-24(25)33-29(35)34-28(37)19-6-10-21(30)11-7-19/h3-7,10-11,14-18,20,22H,8-9,12-13H2,1-2H3,(H,32,36)(H,33,34,37)
InChIKeyNPRWDLGUIXCJGQ-UHFFFAOYSA-N
MW515.59 g/mol
LogP5.87
Rot. Bonds7

About 4-fluoro-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-pyridin-2-yloxybenzimidazol-2-yl]benzamide

4-fluoro-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-pyridin-2-yloxybenzimidazol-2-yl]benzamide (PubChem CID 56650693) has the molecular formula C29H30FN5O3 and a molecular weight of 515.59 g/mol. Its IUPAC name is 4-fluoro-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-pyridin-2-yloxybenzimidazol-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-pyridin-2-yloxybenzimidazol-2-yl]benzamide
PubChem CID56650693
Molecular FormulaC29H30FN5O3
Molecular Weight515.59 g/mol
Exact Mass515.23
IUPAC Name4-fluoro-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-pyridin-2-yloxybenzimidazol-2-yl]benzamide
SMILESCC(C)NC(=O)C1CCC(n2c(NC(=O)c3ccc(F)cc3)nc3ccc(Oc4ccccn4)cc32)CC1
InChIInChI=1S/C29H30FN5O3/c1-18(2)32-27(36)20-8-12-22(13-9-20)35-25-17-23(38-26-5-3-4-16-31-26)14-15-24(25)33-29(35)34-28(37)19-6-10-21(30)11-7-19/h3-7,10-11,14-18,20,22H,8-9,12-13H2,1-2H3,(H,32,36)(H,33,34,37)
InChIKeyNPRWDLGUIXCJGQ-UHFFFAOYSA-N
XLogP5.87
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.59
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-pyridin-2-yloxybenzimidazol-2-yl]benzamide?
The IUPAC name of 4-fluoro-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-pyridin-2-yloxybenzimidazol-2-yl]benzamide (CID 56650693) is 4-fluoro-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-pyridin-2-yloxybenzimidazol-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-pyridin-2-yloxybenzimidazol-2-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-pyridin-2-yloxybenzimidazol-2-yl]benzamide is CC(C)NC(=O)C1CCC(n2c(NC(=O)c3ccc(F)cc3)nc3ccc(Oc4ccccn4)cc32)CC1.
What is the InChIKey of 4-fluoro-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-pyridin-2-yloxybenzimidazol-2-yl]benzamide?
The InChIKey is NPRWDLGUIXCJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30FN5O3/c1-18(2)32-27(36)20-8-12-22(13-9-20)35-25-17-23(38-26-5-3-4-16-31-26)14-15-24(25)33-29(35)34-28(37)19-6-10-21(30)11-7-19/h3-7,10-11,14-18,20,22H,8-9,12-13H2,1-2H3,(H,32,36)(H,33,34,37).
What are the key properties of 4-fluoro-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-pyridin-2-yloxybenzimidazol-2-yl]benzamide?
4-fluoro-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-pyridin-2-yloxybenzimidazol-2-yl]benzamide has a molecular weight of 515.59 g/mol, XLogP of 5.87, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-pyridin-2-yloxybenzimidazol-2-yl]benzamide is sourced from PubChem (CID 56650693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).