4-[4-(1-propan-2-yltetrazol-5-yl)piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one

C15H20N8O — CID 167964448

IUPAC4-[4-(1-propan-2-yltetrazol-5-yl)piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one
SMILESCC(C)n1nnnc1N1CCN(c2cccc3[nH]c(=O)[nH]c23)CC1
InChIInChI=1S/C15H20N8O/c1-10(2)23-15(18-19-20-23)22-8-6-21(7-9-22)12-5-3-4-11-13(12)17-14(24)16-11/h3-5,10H,6-9H2,1-2H3,(H2,16,17,24)
InChIKeyMSFKJXSLZMJZSN-UHFFFAOYSA-N
MW328.38 g/mol
LogP0.75
Rot. Bonds3

About 4-[4-(1-propan-2-yltetrazol-5-yl)piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one

4-[4-(1-propan-2-yltetrazol-5-yl)piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 167964448) has the molecular formula C15H20N8O and a molecular weight of 328.38 g/mol. Its IUPAC name is 4-[4-(1-propan-2-yltetrazol-5-yl)piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name4-[4-(1-propan-2-yltetrazol-5-yl)piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one
PubChem CID167964448
Molecular FormulaC15H20N8O
Molecular Weight328.38 g/mol
Exact Mass328.18
IUPAC Name4-[4-(1-propan-2-yltetrazol-5-yl)piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one
SMILESCC(C)n1nnnc1N1CCN(c2cccc3[nH]c(=O)[nH]c23)CC1
InChIInChI=1S/C15H20N8O/c1-10(2)23-15(18-19-20-23)22-8-6-21(7-9-22)12-5-3-4-11-13(12)17-14(24)16-11/h3-5,10H,6-9H2,1-2H3,(H2,16,17,24)
InChIKeyMSFKJXSLZMJZSN-UHFFFAOYSA-N
XLogP0.75
TPSA98.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-propan-2-yltetrazol-5-yl)piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 4-[4-(1-propan-2-yltetrazol-5-yl)piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one (CID 167964448) is 4-[4-(1-propan-2-yltetrazol-5-yl)piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 4-[4-(1-propan-2-yltetrazol-5-yl)piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 4-[4-(1-propan-2-yltetrazol-5-yl)piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one is CC(C)n1nnnc1N1CCN(c2cccc3[nH]c(=O)[nH]c23)CC1.
What is the InChIKey of 4-[4-(1-propan-2-yltetrazol-5-yl)piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is MSFKJXSLZMJZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N8O/c1-10(2)23-15(18-19-20-23)22-8-6-21(7-9-22)12-5-3-4-11-13(12)17-14(24)16-11/h3-5,10H,6-9H2,1-2H3,(H2,16,17,24).
What are the key properties of 4-[4-(1-propan-2-yltetrazol-5-yl)piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one?
4-[4-(1-propan-2-yltetrazol-5-yl)piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 328.38 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-propan-2-yltetrazol-5-yl)piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 167964448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).