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

C28H34FN5O3 — CID 66729077

IUPAC4-fluoro-N-[6-morpholin-4-yl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide
SMILESCC(C)NC(=O)C1CCC(n2c(NC(=O)c3ccc(F)cc3)nc3ccc(N4CCOCC4)cc32)CC1
InChIInChI=1S/C28H34FN5O3/c1-18(2)30-26(35)20-5-9-22(10-6-20)34-25-17-23(33-13-15-37-16-14-33)11-12-24(25)31-28(34)32-27(36)19-3-7-21(29)8-4-19/h3-4,7-8,11-12,17-18,20,22H,5-6,9-10,13-16H2,1-2H3,(H,30,35)(H,31,32,36)
InChIKeyDJNHZBOHFWQZDT-UHFFFAOYSA-N
MW507.61 g/mol
LogP4.52
Rot. Bonds6

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

4-fluoro-N-[6-morpholin-4-yl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide (PubChem CID 66729077) has the molecular formula C28H34FN5O3 and a molecular weight of 507.61 g/mol. Its IUPAC name is 4-fluoro-N-[6-morpholin-4-yl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[6-morpholin-4-yl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide
PubChem CID66729077
Molecular FormulaC28H34FN5O3
Molecular Weight507.61 g/mol
Exact Mass507.26
IUPAC Name4-fluoro-N-[6-morpholin-4-yl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide
SMILESCC(C)NC(=O)C1CCC(n2c(NC(=O)c3ccc(F)cc3)nc3ccc(N4CCOCC4)cc32)CC1
InChIInChI=1S/C28H34FN5O3/c1-18(2)30-26(35)20-5-9-22(10-6-20)34-25-17-23(33-13-15-37-16-14-33)11-12-24(25)31-28(34)32-27(36)19-3-7-21(29)8-4-19/h3-4,7-8,11-12,17-18,20,22H,5-6,9-10,13-16H2,1-2H3,(H,30,35)(H,31,32,36)
InChIKeyDJNHZBOHFWQZDT-UHFFFAOYSA-N
XLogP4.52
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.61
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-fluoro-N-[6-morpholin-4-yl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[6-morpholin-4-yl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide?
The IUPAC name of 4-fluoro-N-[6-morpholin-4-yl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide (CID 66729077) is 4-fluoro-N-[6-morpholin-4-yl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[6-morpholin-4-yl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[6-morpholin-4-yl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide is CC(C)NC(=O)C1CCC(n2c(NC(=O)c3ccc(F)cc3)nc3ccc(N4CCOCC4)cc32)CC1.
What is the InChIKey of 4-fluoro-N-[6-morpholin-4-yl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide?
The InChIKey is DJNHZBOHFWQZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34FN5O3/c1-18(2)30-26(35)20-5-9-22(10-6-20)34-25-17-23(33-13-15-37-16-14-33)11-12-24(25)31-28(34)32-27(36)19-3-7-21(29)8-4-19/h3-4,7-8,11-12,17-18,20,22H,5-6,9-10,13-16H2,1-2H3,(H,30,35)(H,31,32,36).
What are the key properties of 4-fluoro-N-[6-morpholin-4-yl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide?
4-fluoro-N-[6-morpholin-4-yl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide has a molecular weight of 507.61 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[6-morpholin-4-yl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide is sourced from PubChem (CID 66729077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).