1-[[1-[(4-iodophenyl)methyl]piperidin-4-yl]methyl]benzimidazole

C20H22IN3 — CID 57328320

IUPAC1-[[1-[(4-iodophenyl)methyl]piperidin-4-yl]methyl]benzimidazole
SMILES[125I]c1ccc(CN2CCC(Cn3cnc4ccccc43)CC2)cc1
InChIInChI=1S/C20H22IN3/c21-18-7-5-16(6-8-18)13-23-11-9-17(10-12-23)14-24-15-22-19-3-1-2-4-20(19)24/h1-8,15,17H,9-14H2/i21-2
InChIKeyFPLGSAOPLITHNR-OJSTVIJZSA-N
MW429.32 g/mol
LogP4.55
Rot. Bonds4

About 1-[[1-[(4-iodophenyl)methyl]piperidin-4-yl]methyl]benzimidazole

1-[[1-[(4-iodophenyl)methyl]piperidin-4-yl]methyl]benzimidazole (PubChem CID 57328320) has the molecular formula C20H22IN3 and a molecular weight of 429.32 g/mol. Its IUPAC name is 1-[[1-[(4-iodophenyl)methyl]piperidin-4-yl]methyl]benzimidazole.

Molecular Properties

Compound Name1-[[1-[(4-iodophenyl)methyl]piperidin-4-yl]methyl]benzimidazole
PubChem CID57328320
Molecular FormulaC20H22IN3
Molecular Weight429.32 g/mol
Exact Mass429.09
IUPAC Name1-[[1-[(4-iodophenyl)methyl]piperidin-4-yl]methyl]benzimidazole
SMILES[125I]c1ccc(CN2CCC(Cn3cnc4ccccc43)CC2)cc1
InChIInChI=1S/C20H22IN3/c21-18-7-5-16(6-8-18)13-23-11-9-17(10-12-23)14-24-15-22-19-3-1-2-4-20(19)24/h1-8,15,17H,9-14H2/i21-2
InChIKeyFPLGSAOPLITHNR-OJSTVIJZSA-N
XLogP4.55
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.32
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[[4-(benzimidazol-1-ylmethyl)piperidin-1-yl]methyl]benzoate;oxalic acid
CID 71780888
1-[[4-[[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]phenyl]methyl]benzimidazole
CID 25031243
4-(benzimidazol-1-ylmethyl)cyclohexane-1-carboxylic acid
CID 172582070
1-[[1-[(2-methyl-3-pyridinyl)methyl]piperidin-3-yl]methyl]benzimidazole
CID 138031162
4-[[4-[2-[2-(benzimidazol-1-yl)ethoxy]ethyl]piperazin-1-yl]methyl]phenol
CID 139918365
4-(benzimidazol-1-ylmethyl)phenol
CID 6498815
1-[4-(benzimidazol-1-ylmethyl)piperidin-1-yl]-3-(2-chlorophenyl)prop-2-en-1-one
CID 75118878
1-[[4-(benzimidazol-1-ylmethyl)-3-chlorophenyl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 25031888
4-(benzimidazol-1-ylmethyl)-N-[4-[(1-benzylpiperidin-4-yl)carbamoyl]phenyl]benzamide
CID 91278506
3-(benzimidazol-1-ylmethyl)-1-benzylpyrrolidin-3-ol
CID 176913337
[1-[(1-benzylpiperidin-4-yl)methyl]benzimidazol-2-yl]methanol
CID 71649897
1-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methyl]benzimidazole
CID 126836065

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(4-iodophenyl)methyl]piperidin-4-yl]methyl]benzimidazole?
The IUPAC name of 1-[[1-[(4-iodophenyl)methyl]piperidin-4-yl]methyl]benzimidazole (CID 57328320) is 1-[[1-[(4-iodophenyl)methyl]piperidin-4-yl]methyl]benzimidazole.
What is the SMILES notation for 1-[[1-[(4-iodophenyl)methyl]piperidin-4-yl]methyl]benzimidazole?
The canonical SMILES for 1-[[1-[(4-iodophenyl)methyl]piperidin-4-yl]methyl]benzimidazole is [125I]c1ccc(CN2CCC(Cn3cnc4ccccc43)CC2)cc1.
What is the InChIKey of 1-[[1-[(4-iodophenyl)methyl]piperidin-4-yl]methyl]benzimidazole?
The InChIKey is FPLGSAOPLITHNR-OJSTVIJZSA-N. The full InChI is InChI=1S/C20H22IN3/c21-18-7-5-16(6-8-18)13-23-11-9-17(10-12-23)14-24-15-22-19-3-1-2-4-20(19)24/h1-8,15,17H,9-14H2/i21-2.
What are the key properties of 1-[[1-[(4-iodophenyl)methyl]piperidin-4-yl]methyl]benzimidazole?
1-[[1-[(4-iodophenyl)methyl]piperidin-4-yl]methyl]benzimidazole has a molecular weight of 429.32 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(4-iodophenyl)methyl]piperidin-4-yl]methyl]benzimidazole is sourced from PubChem (CID 57328320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).