2-phenyl-4-(piperidin-1-ylmethyl)-1H-benzimidazol-5-ol

C19H21N3O — CID 1394668

IUPAC2-phenyl-4-(piperidin-1-ylmethyl)-1H-benzimidazol-5-ol
SMILESOc1ccc2[nH]c(-c3ccccc3)nc2c1CN1CCCCC1
InChIInChI=1S/C19H21N3O/c23-17-10-9-16-18(15(17)13-22-11-5-2-6-12-22)21-19(20-16)14-7-3-1-4-8-14/h1,3-4,7-10,23H,2,5-6,11-13H2,(H,20,21)
InChIKeyFVHKIGHCUWTXCC-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.92
Rot. Bonds3

About 2-phenyl-4-(piperidin-1-ylmethyl)-1H-benzimidazol-5-ol

2-phenyl-4-(piperidin-1-ylmethyl)-1H-benzimidazol-5-ol (PubChem CID 1394668) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-phenyl-4-(piperidin-1-ylmethyl)-1H-benzimidazol-5-ol.

Molecular Properties

Compound Name2-phenyl-4-(piperidin-1-ylmethyl)-1H-benzimidazol-5-ol
PubChem CID1394668
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name2-phenyl-4-(piperidin-1-ylmethyl)-1H-benzimidazol-5-ol
SMILESOc1ccc2[nH]c(-c3ccccc3)nc2c1CN1CCCCC1
InChIInChI=1S/C19H21N3O/c23-17-10-9-16-18(15(17)13-22-11-5-2-6-12-22)21-19(20-16)14-7-3-1-4-8-14/h1,3-4,7-10,23H,2,5-6,11-13H2,(H,20,21)
InChIKeyFVHKIGHCUWTXCC-UHFFFAOYSA-N
XLogP3.92
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(piperidin-1-ylmethyl)-1H-benzimidazol-5-ol?
The IUPAC name of 2-phenyl-4-(piperidin-1-ylmethyl)-1H-benzimidazol-5-ol (CID 1394668) is 2-phenyl-4-(piperidin-1-ylmethyl)-1H-benzimidazol-5-ol.
What is the SMILES notation for 2-phenyl-4-(piperidin-1-ylmethyl)-1H-benzimidazol-5-ol?
The canonical SMILES for 2-phenyl-4-(piperidin-1-ylmethyl)-1H-benzimidazol-5-ol is Oc1ccc2[nH]c(-c3ccccc3)nc2c1CN1CCCCC1.
What is the InChIKey of 2-phenyl-4-(piperidin-1-ylmethyl)-1H-benzimidazol-5-ol?
The InChIKey is FVHKIGHCUWTXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c23-17-10-9-16-18(15(17)13-22-11-5-2-6-12-22)21-19(20-16)14-7-3-1-4-8-14/h1,3-4,7-10,23H,2,5-6,11-13H2,(H,20,21).
What are the key properties of 2-phenyl-4-(piperidin-1-ylmethyl)-1H-benzimidazol-5-ol?
2-phenyl-4-(piperidin-1-ylmethyl)-1H-benzimidazol-5-ol has a molecular weight of 307.40 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(piperidin-1-ylmethyl)-1H-benzimidazol-5-ol is sourced from PubChem (CID 1394668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).