1-benzyl-N-(1-cyclohexylbenzimidazol-2-yl)-6-oxopyridazine-3-carboxamide

C25H25N5O2 — CID 47048608

IUPAC1-benzyl-N-(1-cyclohexylbenzimidazol-2-yl)-6-oxopyridazine-3-carboxamide
SMILESO=C(Nc1nc2ccccc2n1C1CCCCC1)c1ccc(=O)n(Cc2ccccc2)n1
InChIInChI=1S/C25H25N5O2/c31-23-16-15-21(28-29(23)17-18-9-3-1-4-10-18)24(32)27-25-26-20-13-7-8-14-22(20)30(25)19-11-5-2-6-12-19/h1,3-4,7-10,13-16,19H,2,5-6,11-12,17H2,(H,26,27,32)
InChIKeyUTLHTGBSNUJANB-UHFFFAOYSA-N
MW427.51 g/mol
LogP4.40
Rot. Bonds5

About 1-benzyl-N-(1-cyclohexylbenzimidazol-2-yl)-6-oxopyridazine-3-carboxamide

1-benzyl-N-(1-cyclohexylbenzimidazol-2-yl)-6-oxopyridazine-3-carboxamide (PubChem CID 47048608) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is 1-benzyl-N-(1-cyclohexylbenzimidazol-2-yl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(1-cyclohexylbenzimidazol-2-yl)-6-oxopyridazine-3-carboxamide
PubChem CID47048608
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name1-benzyl-N-(1-cyclohexylbenzimidazol-2-yl)-6-oxopyridazine-3-carboxamide
SMILESO=C(Nc1nc2ccccc2n1C1CCCCC1)c1ccc(=O)n(Cc2ccccc2)n1
InChIInChI=1S/C25H25N5O2/c31-23-16-15-21(28-29(23)17-18-9-3-1-4-10-18)24(32)27-25-26-20-13-7-8-14-22(20)30(25)19-11-5-2-6-12-19/h1,3-4,7-10,13-16,19H,2,5-6,11-12,17H2,(H,26,27,32)
InChIKeyUTLHTGBSNUJANB-UHFFFAOYSA-N
XLogP4.40
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(1-cyclohexylbenzimidazol-2-yl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-benzyl-N-(1-cyclohexylbenzimidazol-2-yl)-6-oxopyridazine-3-carboxamide (CID 47048608) is 1-benzyl-N-(1-cyclohexylbenzimidazol-2-yl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(1-cyclohexylbenzimidazol-2-yl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(1-cyclohexylbenzimidazol-2-yl)-6-oxopyridazine-3-carboxamide is O=C(Nc1nc2ccccc2n1C1CCCCC1)c1ccc(=O)n(Cc2ccccc2)n1.
What is the InChIKey of 1-benzyl-N-(1-cyclohexylbenzimidazol-2-yl)-6-oxopyridazine-3-carboxamide?
The InChIKey is UTLHTGBSNUJANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c31-23-16-15-21(28-29(23)17-18-9-3-1-4-10-18)24(32)27-25-26-20-13-7-8-14-22(20)30(25)19-11-5-2-6-12-19/h1,3-4,7-10,13-16,19H,2,5-6,11-12,17H2,(H,26,27,32).
What are the key properties of 1-benzyl-N-(1-cyclohexylbenzimidazol-2-yl)-6-oxopyridazine-3-carboxamide?
1-benzyl-N-(1-cyclohexylbenzimidazol-2-yl)-6-oxopyridazine-3-carboxamide has a molecular weight of 427.51 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(1-cyclohexylbenzimidazol-2-yl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 47048608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).