1-(7-propan-2-yl-3H-benzimidazol-4-yl)-1,3-diazinane-2,4-dione

C14H16N4O2 — CID 167282385

IUPAC1-(7-propan-2-yl-3H-benzimidazol-4-yl)-1,3-diazinane-2,4-dione
SMILESCC(C)c1ccc(N2CCC(=O)NC2=O)c2[nH]cnc12
InChIInChI=1S/C14H16N4O2/c1-8(2)9-3-4-10(13-12(9)15-7-16-13)18-6-5-11(19)17-14(18)20/h3-4,7-8H,5-6H2,1-2H3,(H,15,16)(H,17,19,20)
InChIKeyYFKYNSBGMJXEIB-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.13
Rot. Bonds2

About 1-(7-propan-2-yl-3H-benzimidazol-4-yl)-1,3-diazinane-2,4-dione

1-(7-propan-2-yl-3H-benzimidazol-4-yl)-1,3-diazinane-2,4-dione (PubChem CID 167282385) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 1-(7-propan-2-yl-3H-benzimidazol-4-yl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(7-propan-2-yl-3H-benzimidazol-4-yl)-1,3-diazinane-2,4-dione
PubChem CID167282385
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name1-(7-propan-2-yl-3H-benzimidazol-4-yl)-1,3-diazinane-2,4-dione
SMILESCC(C)c1ccc(N2CCC(=O)NC2=O)c2[nH]cnc12
InChIInChI=1S/C14H16N4O2/c1-8(2)9-3-4-10(13-12(9)15-7-16-13)18-6-5-11(19)17-14(18)20/h3-4,7-8H,5-6H2,1-2H3,(H,15,16)(H,17,19,20)
InChIKeyYFKYNSBGMJXEIB-UHFFFAOYSA-N
XLogP2.13
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(7-propan-2-yl-3H-benzimidazol-4-yl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(7-propan-2-yl-3H-benzimidazol-4-yl)-1,3-diazinane-2,4-dione (CID 167282385) is 1-(7-propan-2-yl-3H-benzimidazol-4-yl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(7-propan-2-yl-3H-benzimidazol-4-yl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(7-propan-2-yl-3H-benzimidazol-4-yl)-1,3-diazinane-2,4-dione is CC(C)c1ccc(N2CCC(=O)NC2=O)c2[nH]cnc12.
What is the InChIKey of 1-(7-propan-2-yl-3H-benzimidazol-4-yl)-1,3-diazinane-2,4-dione?
The InChIKey is YFKYNSBGMJXEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-8(2)9-3-4-10(13-12(9)15-7-16-13)18-6-5-11(19)17-14(18)20/h3-4,7-8H,5-6H2,1-2H3,(H,15,16)(H,17,19,20).
What are the key properties of 1-(7-propan-2-yl-3H-benzimidazol-4-yl)-1,3-diazinane-2,4-dione?
1-(7-propan-2-yl-3H-benzimidazol-4-yl)-1,3-diazinane-2,4-dione has a molecular weight of 272.31 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-propan-2-yl-3H-benzimidazol-4-yl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 167282385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).