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

C17H20N4O — CID 135444330

IUPAC4-(1H-benzimidazol-2-yl)-1-cyclohexyl-5-imino-2H-pyrrol-3-ol
SMILES[H]/N=C1/C(c2nc3ccccc3[nH]2)=C(O)CN1C1CCCCC1
InChIInChI=1S/C17H20N4O/c18-16-15(17-19-12-8-4-5-9-13(12)20-17)14(22)10-21(16)11-6-2-1-3-7-11/h4-5,8-9,11,18,22H,1-3,6-7,10H2,(H,19,20)/b18-16-
InChIKeyKXLIVXZBUCNGDO-VLGSPTGOSA-N
MW296.37 g/mol
LogP3.46
Rot. Bonds2

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

4-(1H-benzimidazol-2-yl)-1-cyclohexyl-5-imino-2H-pyrrol-3-ol (PubChem CID 135444330) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-1-cyclohexyl-5-imino-2H-pyrrol-3-ol.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)-1-cyclohexyl-5-imino-2H-pyrrol-3-ol
PubChem CID135444330
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name4-(1H-benzimidazol-2-yl)-1-cyclohexyl-5-imino-2H-pyrrol-3-ol
SMILES[H]/N=C1/C(c2nc3ccccc3[nH]2)=C(O)CN1C1CCCCC1
InChIInChI=1S/C17H20N4O/c18-16-15(17-19-12-8-4-5-9-13(12)20-17)14(22)10-21(16)11-6-2-1-3-7-11/h4-5,8-9,11,18,22H,1-3,6-7,10H2,(H,19,20)/b18-16-
InChIKeyKXLIVXZBUCNGDO-VLGSPTGOSA-N
XLogP3.46
TPSA76.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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)-1-cyclohexyl-5-imino-2H-pyrrol-3-ol?
The IUPAC name of 4-(1H-benzimidazol-2-yl)-1-cyclohexyl-5-imino-2H-pyrrol-3-ol (CID 135444330) is 4-(1H-benzimidazol-2-yl)-1-cyclohexyl-5-imino-2H-pyrrol-3-ol.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-1-cyclohexyl-5-imino-2H-pyrrol-3-ol?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)-1-cyclohexyl-5-imino-2H-pyrrol-3-ol is [H]/N=C1/C(c2nc3ccccc3[nH]2)=C(O)CN1C1CCCCC1.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)-1-cyclohexyl-5-imino-2H-pyrrol-3-ol?
The InChIKey is KXLIVXZBUCNGDO-VLGSPTGOSA-N. The full InChI is InChI=1S/C17H20N4O/c18-16-15(17-19-12-8-4-5-9-13(12)20-17)14(22)10-21(16)11-6-2-1-3-7-11/h4-5,8-9,11,18,22H,1-3,6-7,10H2,(H,19,20)/b18-16-.
What are the key properties of 4-(1H-benzimidazol-2-yl)-1-cyclohexyl-5-imino-2H-pyrrol-3-ol?
4-(1H-benzimidazol-2-yl)-1-cyclohexyl-5-imino-2H-pyrrol-3-ol has a molecular weight of 296.37 g/mol, XLogP of 3.46, 2 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)-1-cyclohexyl-5-imino-2H-pyrrol-3-ol is sourced from PubChem (CID 135444330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).