1-phenyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]benzimidazole

C27H29N3O — CID 19354021

IUPAC1-phenyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]benzimidazole
SMILESc1ccc(-n2c(-c3ccc(OCCCN4CCCCC4)cc3)nc3ccccc32)cc1
InChIInChI=1S/C27H29N3O/c1-3-10-23(11-4-1)30-26-13-6-5-12-25(26)28-27(30)22-14-16-24(17-15-22)31-21-9-20-29-18-7-2-8-19-29/h1,3-6,10-17H,2,7-9,18-21H2
InChIKeyCOJLVHNSTMOJNZ-UHFFFAOYSA-N
MW411.55 g/mol
LogP5.95
Rot. Bonds7

About 1-phenyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]benzimidazole

1-phenyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]benzimidazole (PubChem CID 19354021) has the molecular formula C27H29N3O and a molecular weight of 411.55 g/mol. Its IUPAC name is 1-phenyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]benzimidazole.

Molecular Properties

Compound Name1-phenyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]benzimidazole
PubChem CID19354021
Molecular FormulaC27H29N3O
Molecular Weight411.55 g/mol
Exact Mass411.23
IUPAC Name1-phenyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]benzimidazole
SMILESc1ccc(-n2c(-c3ccc(OCCCN4CCCCC4)cc3)nc3ccccc32)cc1
InChIInChI=1S/C27H29N3O/c1-3-10-23(11-4-1)30-26-13-6-5-12-25(26)28-27(30)22-14-16-24(17-15-22)31-21-9-20-29-18-7-2-8-19-29/h1,3-6,10-17H,2,7-9,18-21H2
InChIKeyCOJLVHNSTMOJNZ-UHFFFAOYSA-N
XLogP5.95
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.55
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(4-phenylphenoxy)propyl]piperidine
CID 56683751
1-phenyl-2-[4-[4-(1-phenylbenzimidazol-2-yl)phenoxy]phenyl]benzimidazole
CID 141099436
1-[3-(4-methylphenoxy)propyl]-2-(3-pyrrolidin-1-ylpropyl)benzimidazole
CID 18885587
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
3-[4-[3-(azepan-1-yl)propoxy]phenyl]-2-methylquinazolin-4-one
CID 11581919
2-[3-(azepan-1-yl)propyl]-1-[4-(4-methylphenoxy)butyl]benzimidazole
CID 18885688
1-[6-(4-phenylphenoxy)hexyl]piperidine
CID 155533744
2-[3-(azepan-1-yl)propyl]-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole
CID 18885665
1-[5-(4-phenylphenoxy)pentyl]pyrrolidine
CID 11857856
2-(azepan-1-ylmethyl)-1-[3-(4-methoxyphenoxy)propyl]benzimidazole
CID 18885338
1-[2-(4-phenylphenoxy)ethyl]piperidine
CID 58483683
2-[4-[4,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole
CID 155186062

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]benzimidazole?
The IUPAC name of 1-phenyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]benzimidazole (CID 19354021) is 1-phenyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]benzimidazole.
What is the SMILES notation for 1-phenyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]benzimidazole?
The canonical SMILES for 1-phenyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]benzimidazole is c1ccc(-n2c(-c3ccc(OCCCN4CCCCC4)cc3)nc3ccccc32)cc1.
What is the InChIKey of 1-phenyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]benzimidazole?
The InChIKey is COJLVHNSTMOJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O/c1-3-10-23(11-4-1)30-26-13-6-5-12-25(26)28-27(30)22-14-16-24(17-15-22)31-21-9-20-29-18-7-2-8-19-29/h1,3-6,10-17H,2,7-9,18-21H2.
What are the key properties of 1-phenyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]benzimidazole?
1-phenyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]benzimidazole has a molecular weight of 411.55 g/mol, XLogP of 5.95, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]benzimidazole is sourced from PubChem (CID 19354021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).