N,4,6-trimethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

C17H21N5O2 — CID 56722109

About N,4,6-trimethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

N,4,6-trimethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 56722109) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N,4,6-trimethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: N,4,6-trimethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
• PubChem CID: 56722109
• Molecular Formula: C17H21N5O2
• Molecular Weight: 327.39 g/mol
• Exact Mass: 327.17
• IUPAC Name: N,4,6-trimethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
• SMILES: CC1=C(C(=O)N(C)Cc2nc3ccc(C)cc3[nH]2)C(C)NC(=O)N1
• InChI: InChI=1S/C17H21N5O2/c1-9-5-6-12-13(7-9)21-14(20-12)8-22(4)16(23)15-10(2)18-17(24)19-11(15)3/h5-7,10H,8H2,1-4H3,(H,20,21)(H2,18,19,24)
• InChIKey: VEQVRDFSURORHS-UHFFFAOYSA-N
• XLogP: 1.81
• TPSA: 90.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	327.39
LogP ≤ 5	1.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N,4,6-trimethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?

The IUPAC name of N,4,6-trimethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 56722109) is N,4,6-trimethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.

What is the SMILES notation for N,4,6-trimethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?

The canonical SMILES for N,4,6-trimethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is CC1=C(C(=O)N(C)Cc2nc3ccc(C)cc3[nH]2)C(C)NC(=O)N1.

What is the InChIKey of N,4,6-trimethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?

The InChIKey is VEQVRDFSURORHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-9-5-6-12-13(7-9)21-14(20-12)8-22(4)16(23)15-10(2)18-17(24)19-11(15)3/h5-7,10H,8H2,1-4H3,(H,20,21)(H2,18,19,24).

What are the key properties of N,4,6-trimethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?

N,4,6-trimethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 1.81, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N,4,6-trimethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 56722109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).