6-chloro-3-[1-[3-(4-chloro-2-fluorophenyl)-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one

C26H25Cl2FN6O2 — CID 25132795

IUPAC6-chloro-3-[1-[3-(4-chloro-2-fluorophenyl)-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCN1CCn2c(-c3ccc(Cl)cc3F)nc(C(=O)N3CCC(n4c(=O)[nH]c5cc(Cl)ccc54)CC3)c2C1
InChIInChI=1S/C26H25Cl2FN6O2/c1-32-10-11-34-22(14-32)23(31-24(34)18-4-2-15(27)12-19(18)29)25(36)33-8-6-17(7-9-33)35-21-5-3-16(28)13-20(21)30-26(35)37/h2-5,12-13,17H,6-11,14H2,1H3,(H,30,37)
InChIKeyJFVCSIZMNATTLV-UHFFFAOYSA-N
MW543.43 g/mol
LogP4.56
Rot. Bonds3

About 6-chloro-3-[1-[3-(4-chloro-2-fluorophenyl)-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one

6-chloro-3-[1-[3-(4-chloro-2-fluorophenyl)-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 25132795) has the molecular formula C26H25Cl2FN6O2 and a molecular weight of 543.43 g/mol. Its IUPAC name is 6-chloro-3-[1-[3-(4-chloro-2-fluorophenyl)-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-chloro-3-[1-[3-(4-chloro-2-fluorophenyl)-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID25132795
Molecular FormulaC26H25Cl2FN6O2
Molecular Weight543.43 g/mol
Exact Mass542.14
IUPAC Name6-chloro-3-[1-[3-(4-chloro-2-fluorophenyl)-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCN1CCn2c(-c3ccc(Cl)cc3F)nc(C(=O)N3CCC(n4c(=O)[nH]c5cc(Cl)ccc54)CC3)c2C1
InChIInChI=1S/C26H25Cl2FN6O2/c1-32-10-11-34-22(14-32)23(31-24(34)18-4-2-15(27)12-19(18)29)25(36)33-8-6-17(7-9-33)35-21-5-3-16(28)13-20(21)30-26(35)37/h2-5,12-13,17H,6-11,14H2,1H3,(H,30,37)
InChIKeyJFVCSIZMNATTLV-UHFFFAOYSA-N
XLogP4.56
TPSA79.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.43
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-chloro-3-[1-[3-(4-chloro-2-fluorophenyl)-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one with MolForge

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Related Compounds

6-chloro-3-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968064
6-chloro-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968096
6-chloro-3-[1-(furan-3-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968093
6-chloro-3-[1-(naphthalene-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one;2,2,2-trifluoroacetic acid
CID 53470056
6-chloro-3-[1-(4-methylpentanoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968198
6-chloro-3-[1-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 44589500
6-chloro-3-[1-(2-phenylacetyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968181
3-[1-(4-chlorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 27184460
6-chloro-3-[1-[2-(methylamino)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride
CID 172967762
6-chloro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide
CID 70537571
6-chloro-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-benzimidazol-2-one
CID 172968606
3-(4-aminocyclohexyl)-6-chloro-1H-benzimidazol-2-one;hydrochloride
CID 118292535

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[1-[3-(4-chloro-2-fluorophenyl)-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 6-chloro-3-[1-[3-(4-chloro-2-fluorophenyl)-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 25132795) is 6-chloro-3-[1-[3-(4-chloro-2-fluorophenyl)-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 6-chloro-3-[1-[3-(4-chloro-2-fluorophenyl)-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 6-chloro-3-[1-[3-(4-chloro-2-fluorophenyl)-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one is CN1CCn2c(-c3ccc(Cl)cc3F)nc(C(=O)N3CCC(n4c(=O)[nH]c5cc(Cl)ccc54)CC3)c2C1.
What is the InChIKey of 6-chloro-3-[1-[3-(4-chloro-2-fluorophenyl)-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is JFVCSIZMNATTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25Cl2FN6O2/c1-32-10-11-34-22(14-32)23(31-24(34)18-4-2-15(27)12-19(18)29)25(36)33-8-6-17(7-9-33)35-21-5-3-16(28)13-20(21)30-26(35)37/h2-5,12-13,17H,6-11,14H2,1H3,(H,30,37).
What are the key properties of 6-chloro-3-[1-[3-(4-chloro-2-fluorophenyl)-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one?
6-chloro-3-[1-[3-(4-chloro-2-fluorophenyl)-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 543.43 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[1-[3-(4-chloro-2-fluorophenyl)-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 25132795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).