3-methyl-5-(2-methylphenyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)benzimidazol-2-one

C24H25N5O — CID 56656263

IUPAC3-methyl-5-(2-methylphenyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)benzimidazol-2-one
SMILESCc1ccccc1-c1ccc2c(c1)n(C)c(=O)n2C1CCN(c2ncccn2)CC1
InChIInChI=1S/C24H25N5O/c1-17-6-3-4-7-20(17)18-8-9-21-22(16-18)27(2)24(30)29(21)19-10-14-28(15-11-19)23-25-12-5-13-26-23/h3-9,12-13,16,19H,10-11,14-15H2,1-2H3
InChIKeyNHZXRGZGVRIKGB-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.95
Rot. Bonds3

About 3-methyl-5-(2-methylphenyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)benzimidazol-2-one

3-methyl-5-(2-methylphenyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)benzimidazol-2-one (PubChem CID 56656263) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is 3-methyl-5-(2-methylphenyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)benzimidazol-2-one.

Molecular Properties

Compound Name3-methyl-5-(2-methylphenyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)benzimidazol-2-one
PubChem CID56656263
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC Name3-methyl-5-(2-methylphenyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)benzimidazol-2-one
SMILESCc1ccccc1-c1ccc2c(c1)n(C)c(=O)n2C1CCN(c2ncccn2)CC1
InChIInChI=1S/C24H25N5O/c1-17-6-3-4-7-20(17)18-8-9-21-22(16-18)27(2)24(30)29(21)19-10-14-28(15-11-19)23-25-12-5-13-26-23/h3-9,12-13,16,19H,10-11,14-15H2,1-2H3
InChIKeyNHZXRGZGVRIKGB-UHFFFAOYSA-N
XLogP3.95
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2-methylphenyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)benzimidazol-2-one?
The IUPAC name of 3-methyl-5-(2-methylphenyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)benzimidazol-2-one (CID 56656263) is 3-methyl-5-(2-methylphenyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)benzimidazol-2-one.
What is the SMILES notation for 3-methyl-5-(2-methylphenyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)benzimidazol-2-one?
The canonical SMILES for 3-methyl-5-(2-methylphenyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)benzimidazol-2-one is Cc1ccccc1-c1ccc2c(c1)n(C)c(=O)n2C1CCN(c2ncccn2)CC1.
What is the InChIKey of 3-methyl-5-(2-methylphenyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)benzimidazol-2-one?
The InChIKey is NHZXRGZGVRIKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c1-17-6-3-4-7-20(17)18-8-9-21-22(16-18)27(2)24(30)29(21)19-10-14-28(15-11-19)23-25-12-5-13-26-23/h3-9,12-13,16,19H,10-11,14-15H2,1-2H3.
What are the key properties of 3-methyl-5-(2-methylphenyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)benzimidazol-2-one?
3-methyl-5-(2-methylphenyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)benzimidazol-2-one has a molecular weight of 399.50 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-methylphenyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)benzimidazol-2-one is sourced from PubChem (CID 56656263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).