1,3-dimethyl-5-[4-(3-methylphenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]benzimidazol-2-one

C24H27N5O — CID 23581418

IUPAC1,3-dimethyl-5-[4-(3-methylphenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]benzimidazol-2-one
SMILESCc1cccc(-c2nc(C3CCNCC3)[nH]c2-c2ccc3c(c2)n(C)c(=O)n3C)c1
InChIInChI=1S/C24H27N5O/c1-15-5-4-6-17(13-15)21-22(27-23(26-21)16-9-11-25-12-10-16)18-7-8-19-20(14-18)29(3)24(30)28(19)2/h4-8,13-14,16,25H,9-12H2,1-3H3,(H,26,27)
InChIKeyFCMPDTKSOYPNKV-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.71
Rot. Bonds3

About 1,3-dimethyl-5-[4-(3-methylphenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]benzimidazol-2-one

1,3-dimethyl-5-[4-(3-methylphenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]benzimidazol-2-one (PubChem CID 23581418) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is 1,3-dimethyl-5-[4-(3-methylphenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]benzimidazol-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-[4-(3-methylphenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]benzimidazol-2-one
PubChem CID23581418
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC Name1,3-dimethyl-5-[4-(3-methylphenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]benzimidazol-2-one
SMILESCc1cccc(-c2nc(C3CCNCC3)[nH]c2-c2ccc3c(c2)n(C)c(=O)n3C)c1
InChIInChI=1S/C24H27N5O/c1-15-5-4-6-17(13-15)21-22(27-23(26-21)16-9-11-25-12-10-16)18-7-8-19-20(14-18)29(3)24(30)28(19)2/h4-8,13-14,16,25H,9-12H2,1-3H3,(H,26,27)
InChIKeyFCMPDTKSOYPNKV-UHFFFAOYSA-N
XLogP3.71
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[4-(3-methylphenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]benzimidazol-2-one?
The IUPAC name of 1,3-dimethyl-5-[4-(3-methylphenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]benzimidazol-2-one (CID 23581418) is 1,3-dimethyl-5-[4-(3-methylphenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]benzimidazol-2-one.
What is the SMILES notation for 1,3-dimethyl-5-[4-(3-methylphenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]benzimidazol-2-one?
The canonical SMILES for 1,3-dimethyl-5-[4-(3-methylphenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]benzimidazol-2-one is Cc1cccc(-c2nc(C3CCNCC3)[nH]c2-c2ccc3c(c2)n(C)c(=O)n3C)c1.
What is the InChIKey of 1,3-dimethyl-5-[4-(3-methylphenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]benzimidazol-2-one?
The InChIKey is FCMPDTKSOYPNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O/c1-15-5-4-6-17(13-15)21-22(27-23(26-21)16-9-11-25-12-10-16)18-7-8-19-20(14-18)29(3)24(30)28(19)2/h4-8,13-14,16,25H,9-12H2,1-3H3,(H,26,27).
What are the key properties of 1,3-dimethyl-5-[4-(3-methylphenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]benzimidazol-2-one?
1,3-dimethyl-5-[4-(3-methylphenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]benzimidazol-2-one has a molecular weight of 401.51 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[4-(3-methylphenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]benzimidazol-2-one is sourced from PubChem (CID 23581418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).