4-(1H-benzimidazol-2-yl)-5-imino-1-pentyl-2H-pyrrol-3-ol

C16H20N4O — CID 135439923

IUPAC4-(1H-benzimidazol-2-yl)-5-imino-1-pentyl-2H-pyrrol-3-ol
SMILES[H]/N=C1/C(c2nc3ccccc3[nH]2)=C(O)CN1CCCCC
InChIInChI=1S/C16H20N4O/c1-2-3-6-9-20-10-13(21)14(15(20)17)16-18-11-7-4-5-8-12(11)19-16/h4-5,7-8,17,21H,2-3,6,9-10H2,1H3,(H,18,19)/b17-15-
InChIKeyFVRIPAIZKVUINN-ICFOKQHNSA-N
MW284.36 g/mol
LogP3.32
Rot. Bonds5

About 4-(1H-benzimidazol-2-yl)-5-imino-1-pentyl-2H-pyrrol-3-ol

4-(1H-benzimidazol-2-yl)-5-imino-1-pentyl-2H-pyrrol-3-ol (PubChem CID 135439923) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-5-imino-1-pentyl-2H-pyrrol-3-ol.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)-5-imino-1-pentyl-2H-pyrrol-3-ol
PubChem CID135439923
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name4-(1H-benzimidazol-2-yl)-5-imino-1-pentyl-2H-pyrrol-3-ol
SMILES[H]/N=C1/C(c2nc3ccccc3[nH]2)=C(O)CN1CCCCC
InChIInChI=1S/C16H20N4O/c1-2-3-6-9-20-10-13(21)14(15(20)17)16-18-11-7-4-5-8-12(11)19-16/h4-5,7-8,17,21H,2-3,6,9-10H2,1H3,(H,18,19)/b17-15-
InChIKeyFVRIPAIZKVUINN-ICFOKQHNSA-N
XLogP3.32
TPSA76.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-5-imino-1-pentyl-2H-pyrrol-3-ol?
The IUPAC name of 4-(1H-benzimidazol-2-yl)-5-imino-1-pentyl-2H-pyrrol-3-ol (CID 135439923) is 4-(1H-benzimidazol-2-yl)-5-imino-1-pentyl-2H-pyrrol-3-ol.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-5-imino-1-pentyl-2H-pyrrol-3-ol?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)-5-imino-1-pentyl-2H-pyrrol-3-ol is [H]/N=C1/C(c2nc3ccccc3[nH]2)=C(O)CN1CCCCC.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)-5-imino-1-pentyl-2H-pyrrol-3-ol?
The InChIKey is FVRIPAIZKVUINN-ICFOKQHNSA-N. The full InChI is InChI=1S/C16H20N4O/c1-2-3-6-9-20-10-13(21)14(15(20)17)16-18-11-7-4-5-8-12(11)19-16/h4-5,7-8,17,21H,2-3,6,9-10H2,1H3,(H,18,19)/b17-15-.
What are the key properties of 4-(1H-benzimidazol-2-yl)-5-imino-1-pentyl-2H-pyrrol-3-ol?
4-(1H-benzimidazol-2-yl)-5-imino-1-pentyl-2H-pyrrol-3-ol has a molecular weight of 284.36 g/mol, XLogP of 3.32, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)-5-imino-1-pentyl-2H-pyrrol-3-ol is sourced from PubChem (CID 135439923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).