4-[3-[6-[2-(difluoromethyl)benzimidazol-1-yl]-2-morpholin-4-ylpyrimidin-4-yl]propyl]cyclohexane-1-carboxamide

C26H32F2N6O2 — CID 118892198

IUPAC4-[3-[6-[2-(difluoromethyl)benzimidazol-1-yl]-2-morpholin-4-ylpyrimidin-4-yl]propyl]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(CCCc2cc(-n3c(C(F)F)nc4ccccc43)nc(N3CCOCC3)n2)CC1
InChIInChI=1S/C26H32F2N6O2/c27-23(28)25-31-20-6-1-2-7-21(20)34(25)22-16-19(30-26(32-22)33-12-14-36-15-13-33)5-3-4-17-8-10-18(11-9-17)24(29)35/h1-2,6-7,16-18,23H,3-5,8-15H2,(H2,29,35)
InChIKeyCHQXDKTVYGCTHS-UHFFFAOYSA-N
MW498.58 g/mol
LogP4.20
Rot. Bonds8

About 4-[3-[6-[2-(difluoromethyl)benzimidazol-1-yl]-2-morpholin-4-ylpyrimidin-4-yl]propyl]cyclohexane-1-carboxamide

4-[3-[6-[2-(difluoromethyl)benzimidazol-1-yl]-2-morpholin-4-ylpyrimidin-4-yl]propyl]cyclohexane-1-carboxamide (PubChem CID 118892198) has the molecular formula C26H32F2N6O2 and a molecular weight of 498.58 g/mol. Its IUPAC name is 4-[3-[6-[2-(difluoromethyl)benzimidazol-1-yl]-2-morpholin-4-ylpyrimidin-4-yl]propyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[3-[6-[2-(difluoromethyl)benzimidazol-1-yl]-2-morpholin-4-ylpyrimidin-4-yl]propyl]cyclohexane-1-carboxamide
PubChem CID118892198
Molecular FormulaC26H32F2N6O2
Molecular Weight498.58 g/mol
Exact Mass498.26
IUPAC Name4-[3-[6-[2-(difluoromethyl)benzimidazol-1-yl]-2-morpholin-4-ylpyrimidin-4-yl]propyl]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(CCCc2cc(-n3c(C(F)F)nc4ccccc43)nc(N3CCOCC3)n2)CC1
InChIInChI=1S/C26H32F2N6O2/c27-23(28)25-31-20-6-1-2-7-21(20)34(25)22-16-19(30-26(32-22)33-12-14-36-15-13-33)5-3-4-17-8-10-18(11-9-17)24(29)35/h1-2,6-7,16-18,23H,3-5,8-15H2,(H2,29,35)
InChIKeyCHQXDKTVYGCTHS-UHFFFAOYSA-N
XLogP4.20
TPSA99.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.58
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

butyl N-[4-[3-[6-[2-(difluoromethyl)-6-methylbenzimidazol-1-yl]-2-morpholin-4-ylpyrimidin-4-yl]propyl]cyclohexyl]carbamate
CID 118891712
2-amino-1-[3-[6-[2-(difluoromethyl)benzimidazol-1-yl]-2-morpholin-4-ylpyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]ethanone
CID 25057978
2-[1-[2-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-4-yl]piperidin-4-yl]ethanamine
CID 24766041
1-[4-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]cyclohexyl]-3-pyrrolidin-1-ylpropan-2-one
CID 161486329
[3-[3-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]propyl]pyrrolidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 154470155
1-[4-[[6-[2-(difluoromethyl)benzimidazol-1-yl]-2-morpholin-4-ylpyrimidin-4-yl]-(2-methylpropyl)amino]cyclohexyl]-3-(dimethylamino)propan-2-one
CID 162041534
6-[2-(difluoromethyl)benzimidazol-1-yl]-2-morpholin-4-yl-N-[(4-morpholin-4-ylcyclohexyl)methyl]pyrimidin-4-amine
CID 46871000
1-[4-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]cyclohexyl]butan-2-one
CID 159700704
2-[4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxycyclohexyl]-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone
CID 162544123
4-[(4S)-4-(aminomethyl)-5-[[6-[2-(difluoromethyl)benzimidazol-1-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]pentyl]-1-methylpyrrolidin-2-one
CID 118892240
1-[(3S)-3-[[6-[2-(difluoromethyl)benzimidazol-1-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxymethyl]pyrrolidin-1-yl]-2-(methoxyamino)ethanone
CID 118892244
2-amino-1-[4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperidin-1-yl]ethanone
CID 134138249

Frequently Asked Questions

What is the IUPAC name of 4-[3-[6-[2-(difluoromethyl)benzimidazol-1-yl]-2-morpholin-4-ylpyrimidin-4-yl]propyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-[3-[6-[2-(difluoromethyl)benzimidazol-1-yl]-2-morpholin-4-ylpyrimidin-4-yl]propyl]cyclohexane-1-carboxamide (CID 118892198) is 4-[3-[6-[2-(difluoromethyl)benzimidazol-1-yl]-2-morpholin-4-ylpyrimidin-4-yl]propyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[3-[6-[2-(difluoromethyl)benzimidazol-1-yl]-2-morpholin-4-ylpyrimidin-4-yl]propyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[3-[6-[2-(difluoromethyl)benzimidazol-1-yl]-2-morpholin-4-ylpyrimidin-4-yl]propyl]cyclohexane-1-carboxamide is NC(=O)C1CCC(CCCc2cc(-n3c(C(F)F)nc4ccccc43)nc(N3CCOCC3)n2)CC1.
What is the InChIKey of 4-[3-[6-[2-(difluoromethyl)benzimidazol-1-yl]-2-morpholin-4-ylpyrimidin-4-yl]propyl]cyclohexane-1-carboxamide?
The InChIKey is CHQXDKTVYGCTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F2N6O2/c27-23(28)25-31-20-6-1-2-7-21(20)34(25)22-16-19(30-26(32-22)33-12-14-36-15-13-33)5-3-4-17-8-10-18(11-9-17)24(29)35/h1-2,6-7,16-18,23H,3-5,8-15H2,(H2,29,35).
What are the key properties of 4-[3-[6-[2-(difluoromethyl)benzimidazol-1-yl]-2-morpholin-4-ylpyrimidin-4-yl]propyl]cyclohexane-1-carboxamide?
4-[3-[6-[2-(difluoromethyl)benzimidazol-1-yl]-2-morpholin-4-ylpyrimidin-4-yl]propyl]cyclohexane-1-carboxamide has a molecular weight of 498.58 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[6-[2-(difluoromethyl)benzimidazol-1-yl]-2-morpholin-4-ylpyrimidin-4-yl]propyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 118892198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).