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HIJAFBPWXWHMOA-UHFFFAOYSA-N

C23H25Cl2N5O2 — CID 56968260

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-cyclohexyl-2-[(3,5-dichloro-4-pyridinyl)amino]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
SMILESCC1(C)Cc2c(c(C(=O)NC3CCCCC3)cc3[nH]c(Nc4c(Cl)cncc4Cl)nc23)O1
InChIInChI=1S/C23H25Cl2N5O2/c1-23(2)9-14-18-17(28-22(29-18)30-19-15(24)10-26-11-16(19)25)8-13(20(14)32-23)21(31)27-12-6-4-3-5-7-12/h8,10-12H,3-7,9H2,1-2H3,(H,27,31)(H2,26,28,29,30)
InChIKeyHIJAFBPWXWHMOA-UHFFFAOYSA-N
MW474.39 g/mol
LogP5.78
Rot. Bonds4

About HIJAFBPWXWHMOA-UHFFFAOYSA-N

HIJAFBPWXWHMOA-UHFFFAOYSA-N (PubChem CID 56968260) has the molecular formula C23H25Cl2N5O2 and a molecular weight of 474.39 g/mol. Its IUPAC name is N-cyclohexyl-2-[(3,5-dichloro-4-pyridinyl)amino]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide.

Molecular Properties

Compound NameHIJAFBPWXWHMOA-UHFFFAOYSA-N
PubChem CID56968260
Molecular FormulaC23H25Cl2N5O2
Molecular Weight474.39 g/mol
Exact Mass473.14
IUPAC NameN-cyclohexyl-2-[(3,5-dichloro-4-pyridinyl)amino]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
SMILESCC1(C)Cc2c(c(C(=O)NC3CCCCC3)cc3[nH]c(Nc4c(Cl)cncc4Cl)nc23)O1
InChIInChI=1S/C23H25Cl2N5O2/c1-23(2)9-14-18-17(28-22(29-18)30-19-15(24)10-26-11-16(19)25)8-13(20(14)32-23)21(31)27-12-6-4-3-5-7-12/h8,10-12H,3-7,9H2,1-2H3,(H,27,31)(H2,26,28,29,30)
InChIKeyHIJAFBPWXWHMOA-UHFFFAOYSA-N
XLogP5.78
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.39
LogP ≤ 55.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of HIJAFBPWXWHMOA-UHFFFAOYSA-N?
The IUPAC name of HIJAFBPWXWHMOA-UHFFFAOYSA-N (CID 56968260) is N-cyclohexyl-2-[(3,5-dichloro-4-pyridinyl)amino]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide.
What is the SMILES notation for HIJAFBPWXWHMOA-UHFFFAOYSA-N?
The canonical SMILES for HIJAFBPWXWHMOA-UHFFFAOYSA-N is CC1(C)Cc2c(c(C(=O)NC3CCCCC3)cc3[nH]c(Nc4c(Cl)cncc4Cl)nc23)O1.
What is the InChIKey of HIJAFBPWXWHMOA-UHFFFAOYSA-N?
The InChIKey is HIJAFBPWXWHMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2N5O2/c1-23(2)9-14-18-17(28-22(29-18)30-19-15(24)10-26-11-16(19)25)8-13(20(14)32-23)21(31)27-12-6-4-3-5-7-12/h8,10-12H,3-7,9H2,1-2H3,(H,27,31)(H2,26,28,29,30).
What are the key properties of HIJAFBPWXWHMOA-UHFFFAOYSA-N?
HIJAFBPWXWHMOA-UHFFFAOYSA-N has a molecular weight of 474.39 g/mol, XLogP of 5.78, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for HIJAFBPWXWHMOA-UHFFFAOYSA-N is sourced from PubChem (CID 56968260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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