4-[2-[2-(difluoromethyl)-1,3-dihydrobenzimidazol-2-yl]-6-morpholin-4-ylpyrimidin-4-yl]-N-(2-morpholin-4-ylethyl)benzamide

C29H33F2N7O3 — CID 68865246

IUPAC4-[2-[2-(difluoromethyl)-1,3-dihydrobenzimidazol-2-yl]-6-morpholin-4-ylpyrimidin-4-yl]-N-(2-morpholin-4-ylethyl)benzamide
SMILESO=C(NCCN1CCOCC1)c1ccc(-c2cc(N3CCOCC3)nc(C3(C(F)F)Nc4ccccc4N3)n2)cc1
InChIInChI=1S/C29H33F2N7O3/c30-27(31)29(35-22-3-1-2-4-23(22)36-29)28-33-24(19-25(34-28)38-13-17-41-18-14-38)20-5-7-21(8-6-20)26(39)32-9-10-37-11-15-40-16-12-37/h1-8,19,27,35-36H,9-18H2,(H,32,39)
InChIKeyCVZSIUZGYFVSKH-UHFFFAOYSA-N
MW565.63 g/mol
LogP3.00
Rot. Bonds8

About 4-[2-[2-(difluoromethyl)-1,3-dihydrobenzimidazol-2-yl]-6-morpholin-4-ylpyrimidin-4-yl]-N-(2-morpholin-4-ylethyl)benzamide

4-[2-[2-(difluoromethyl)-1,3-dihydrobenzimidazol-2-yl]-6-morpholin-4-ylpyrimidin-4-yl]-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 68865246) has the molecular formula C29H33F2N7O3 and a molecular weight of 565.63 g/mol. Its IUPAC name is 4-[2-[2-(difluoromethyl)-1,3-dihydrobenzimidazol-2-yl]-6-morpholin-4-ylpyrimidin-4-yl]-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name4-[2-[2-(difluoromethyl)-1,3-dihydrobenzimidazol-2-yl]-6-morpholin-4-ylpyrimidin-4-yl]-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID68865246
Molecular FormulaC29H33F2N7O3
Molecular Weight565.63 g/mol
Exact Mass565.26
IUPAC Name4-[2-[2-(difluoromethyl)-1,3-dihydrobenzimidazol-2-yl]-6-morpholin-4-ylpyrimidin-4-yl]-N-(2-morpholin-4-ylethyl)benzamide
SMILESO=C(NCCN1CCOCC1)c1ccc(-c2cc(N3CCOCC3)nc(C3(C(F)F)Nc4ccccc4N3)n2)cc1
InChIInChI=1S/C29H33F2N7O3/c30-27(31)29(35-22-3-1-2-4-23(22)36-29)28-33-24(19-25(34-28)38-13-17-41-18-14-38)20-5-7-21(8-6-20)26(39)32-9-10-37-11-15-40-16-12-37/h1-8,19,27,35-36H,9-18H2,(H,32,39)
InChIKeyCVZSIUZGYFVSKH-UHFFFAOYSA-N
XLogP3.00
TPSA103.88 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.63
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

4-[4-[2-(difluoromethyl)-1,3-dihydrobenzimidazol-2-yl]-6-morpholin-4-ylpyrimidin-2-yl]benzoic acid
CID 69163733
N-(2-morpholin-4-ylethyl)-5-[(4-morpholin-4-yl-6-phenylpyrimidin-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 83289833
N-(3-morpholin-4-ylpropyl)-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide
CID 42691502
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
N-(2-morpholin-4-ylethyl)-2-(6-morpholin-4-yl-3-pyridinyl)pyridine-4-carboxamide
CID 117093186
4-isoquinolin-1-yl-N-(2-morpholin-4-ylethyl)benzamide
CID 57383478
N-(2-morpholin-4-ylethyl)-2-oxo-4-phenyl-1H-pyrimidine-6-carboxamide
CID 110332072
4-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-6-phenylpyrimidin-2-amine
CID 112935363
N-(3-morpholin-4-ylpropyl)-4-(6-piperidin-1-ylpyridazin-3-yl)benzamide
CID 53098773
3-benzamido-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 17226356
4-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-2-oxo-1H-pyrimidine-6-carboxamide
CID 110332223
N-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 1354107

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(difluoromethyl)-1,3-dihydrobenzimidazol-2-yl]-6-morpholin-4-ylpyrimidin-4-yl]-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 4-[2-[2-(difluoromethyl)-1,3-dihydrobenzimidazol-2-yl]-6-morpholin-4-ylpyrimidin-4-yl]-N-(2-morpholin-4-ylethyl)benzamide (CID 68865246) is 4-[2-[2-(difluoromethyl)-1,3-dihydrobenzimidazol-2-yl]-6-morpholin-4-ylpyrimidin-4-yl]-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 4-[2-[2-(difluoromethyl)-1,3-dihydrobenzimidazol-2-yl]-6-morpholin-4-ylpyrimidin-4-yl]-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 4-[2-[2-(difluoromethyl)-1,3-dihydrobenzimidazol-2-yl]-6-morpholin-4-ylpyrimidin-4-yl]-N-(2-morpholin-4-ylethyl)benzamide is O=C(NCCN1CCOCC1)c1ccc(-c2cc(N3CCOCC3)nc(C3(C(F)F)Nc4ccccc4N3)n2)cc1.
What is the InChIKey of 4-[2-[2-(difluoromethyl)-1,3-dihydrobenzimidazol-2-yl]-6-morpholin-4-ylpyrimidin-4-yl]-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is CVZSIUZGYFVSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33F2N7O3/c30-27(31)29(35-22-3-1-2-4-23(22)36-29)28-33-24(19-25(34-28)38-13-17-41-18-14-38)20-5-7-21(8-6-20)26(39)32-9-10-37-11-15-40-16-12-37/h1-8,19,27,35-36H,9-18H2,(H,32,39).
What are the key properties of 4-[2-[2-(difluoromethyl)-1,3-dihydrobenzimidazol-2-yl]-6-morpholin-4-ylpyrimidin-4-yl]-N-(2-morpholin-4-ylethyl)benzamide?
4-[2-[2-(difluoromethyl)-1,3-dihydrobenzimidazol-2-yl]-6-morpholin-4-ylpyrimidin-4-yl]-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 565.63 g/mol, XLogP of 3.00, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(difluoromethyl)-1,3-dihydrobenzimidazol-2-yl]-6-morpholin-4-ylpyrimidin-4-yl]-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 68865246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).