4-fluoro-N-[5-fluoro-6-(2-morpholin-4-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide

C30H37F2N5O4 — CID 56652737

IUPAC4-fluoro-N-[5-fluoro-6-(2-morpholin-4-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide
SMILESCC(C)NC(=O)C1CCC(n2c(NC(=O)c3ccc(F)cc3)nc3cc(F)c(OCCN4CCOCC4)cc32)CC1
InChIInChI=1S/C30H37F2N5O4/c1-19(2)33-28(38)21-5-9-23(10-6-21)37-26-18-27(41-16-13-36-11-14-40-15-12-36)24(32)17-25(26)34-30(37)35-29(39)20-3-7-22(31)8-4-20/h3-4,7-8,17-19,21,23H,5-6,9-16H2,1-2H3,(H,33,38)(H,34,35,39)
InChIKeyNUTGZOIFRGUYAM-UHFFFAOYSA-N
MW569.65 g/mol
LogP4.53
Rot. Bonds9

About 4-fluoro-N-[5-fluoro-6-(2-morpholin-4-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide

4-fluoro-N-[5-fluoro-6-(2-morpholin-4-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide (PubChem CID 56652737) has the molecular formula C30H37F2N5O4 and a molecular weight of 569.65 g/mol. Its IUPAC name is 4-fluoro-N-[5-fluoro-6-(2-morpholin-4-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[5-fluoro-6-(2-morpholin-4-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide
PubChem CID56652737
Molecular FormulaC30H37F2N5O4
Molecular Weight569.65 g/mol
Exact Mass569.28
IUPAC Name4-fluoro-N-[5-fluoro-6-(2-morpholin-4-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide
SMILESCC(C)NC(=O)C1CCC(n2c(NC(=O)c3ccc(F)cc3)nc3cc(F)c(OCCN4CCOCC4)cc32)CC1
InChIInChI=1S/C30H37F2N5O4/c1-19(2)33-28(38)21-5-9-23(10-6-21)37-26-18-27(41-16-13-36-11-14-40-15-12-36)24(32)17-25(26)34-30(37)35-29(39)20-3-7-22(31)8-4-20/h3-4,7-8,17-19,21,23H,5-6,9-16H2,1-2H3,(H,33,38)(H,34,35,39)
InChIKeyNUTGZOIFRGUYAM-UHFFFAOYSA-N
XLogP4.53
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.65
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-fluoro-N-[5-fluoro-6-(2-morpholin-4-ylethoxy)-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

Related Compounds

4-{[2-({3-[2-(dimethylamino)ethoxy]-4-(trifluoromethyl)phenyl}amino)-1H-1,3-benzodiazol-5-yl]oxy}-N-methylpyridine-2-carboxamide
CID 11489166
2-{4-[(1-Benzylpiperidin-4-YL)methoxy]phenyl}-1H-benzimidazole-6-carboxamide
CID 11524997
N-methyl-4-({2-[(3-{[(2R)-1-methylpyrrolidin-2-yl]methoxy}-4-(trifluoromethyl)phenyl)amino]-1H-1,3-benzodiazol-5-yl}oxy)pyridine-2-carboxamide
CID 17755117
N-methyl-4-({2-[(3-{[(2R)-1-methylpyrrolidin-2-yl]methoxy}-4-(1,1,2,2,2-pentafluoroethyl)phenyl)amino]-1H-1,3-benzodiazol-5-yl}oxy)pyridine-2-carboxamide
CID 17755212
Benzimidazole-urea, 47
CID 17755232
4-({2-[(cyclohexylmethyl)(methyl)amino]-1H-1,3-benzodiazol-5-yl}oxy)-N-methylpyridine-2-carboxamide
CID 22040925
N-methyl-4-[(2-{methyl[2-(trifluoromethyl)phenyl]amino}-1H-1,3-benzodiazol-5-yl)oxy]pyridine-2-carboxamide
CID 22040937
1-Methyl-2-[3-(trifluoromethyl)phenylamino]-5-[2-(methylcarbamoyl)-4-pyridinyloxy]-1H-benzoimidazole
CID 22040941
N-methyl-4-[(2-{methyl[4-(trifluoromethyl)phenyl]amino}-1H-1,3-benzodiazol-5-yl)oxy]pyridine-2-carboxamide
CID 22041171
trans-4-((4-tert-butylcyclohexyl)(1-methyl-6-propoxy-1H-benzo[d]imidazol-2-yl)amino)methyl)-N-(1H-tetrazol-5-yl)benzamide
CID 11376210
4-{5-[(1-Methylpiperidin-4-YL)oxy]-1H-benzimidazol-1-YL}-2-{(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy}benzamide
CID 50990894
2-(4-Ethoxyanilino)-N,N-diethyl-1-isopentyl-1H-benzimidazole-5-carboxamide
CID 10224082

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[5-fluoro-6-(2-morpholin-4-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide?
The IUPAC name of 4-fluoro-N-[5-fluoro-6-(2-morpholin-4-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide (CID 56652737) is 4-fluoro-N-[5-fluoro-6-(2-morpholin-4-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[5-fluoro-6-(2-morpholin-4-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[5-fluoro-6-(2-morpholin-4-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide is CC(C)NC(=O)C1CCC(n2c(NC(=O)c3ccc(F)cc3)nc3cc(F)c(OCCN4CCOCC4)cc32)CC1.
What is the InChIKey of 4-fluoro-N-[5-fluoro-6-(2-morpholin-4-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide?
The InChIKey is NUTGZOIFRGUYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37F2N5O4/c1-19(2)33-28(38)21-5-9-23(10-6-21)37-26-18-27(41-16-13-36-11-14-40-15-12-36)24(32)17-25(26)34-30(37)35-29(39)20-3-7-22(31)8-4-20/h3-4,7-8,17-19,21,23H,5-6,9-16H2,1-2H3,(H,33,38)(H,34,35,39).
What are the key properties of 4-fluoro-N-[5-fluoro-6-(2-morpholin-4-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide?
4-fluoro-N-[5-fluoro-6-(2-morpholin-4-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide has a molecular weight of 569.65 g/mol, XLogP of 4.53, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[5-fluoro-6-(2-morpholin-4-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide is sourced from PubChem (CID 56652737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).