[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-(2-iodophenyl)methanone

C18H17IN4O — CID 133282698

IUPAC[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-(2-iodophenyl)methanone
SMILESO=C(c1ccccc1I)N1CCN(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C18H17IN4O/c19-14-6-2-1-5-13(14)17(24)22-9-11-23(12-10-22)18-20-15-7-3-4-8-16(15)21-18/h1-8H,9-12H2,(H,20,21)
InChIKeyCBLJJZQMLGCFFW-UHFFFAOYSA-N
MW432.27 g/mol
LogP3.13
Rot. Bonds2

About [4-(1H-benzimidazol-2-yl)piperazin-1-yl]-(2-iodophenyl)methanone

[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-(2-iodophenyl)methanone (PubChem CID 133282698) has the molecular formula C18H17IN4O and a molecular weight of 432.27 g/mol. Its IUPAC name is [4-(1H-benzimidazol-2-yl)piperazin-1-yl]-(2-iodophenyl)methanone.

Molecular Properties

Compound Name[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-(2-iodophenyl)methanone
PubChem CID133282698
Molecular FormulaC18H17IN4O
Molecular Weight432.27 g/mol
Exact Mass432.04
IUPAC Name[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-(2-iodophenyl)methanone
SMILESO=C(c1ccccc1I)N1CCN(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C18H17IN4O/c19-14-6-2-1-5-13(14)17(24)22-9-11-23(12-10-22)18-20-15-7-3-4-8-16(15)21-18/h1-8H,9-12H2,(H,20,21)
InChIKeyCBLJJZQMLGCFFW-UHFFFAOYSA-N
XLogP3.13
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.27
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]ethanone
CID 110376496
[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 44565640
1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 133410090
1-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]prop-2-en-1-one
CID 126816820
4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]benzoic acid
CID 18425264
[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-(3-methyloxetan-3-yl)methanone
CID 146022449
[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 25268868
aziridin-1-yl(1H-benzimidazol-2-yl)methanone
CID 45077903
[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]-[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
CID 86901638
1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-4-phenylbutan-1-one
CID 133282678
(3R)-1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-3-hydroxy-4-methylpentan-1-one
CID 97331869
[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]-(2-chloro-6-pyrrolidin-1-yl-4-pyridinyl)methanone
CID 86942580

Frequently Asked Questions

What is the IUPAC name of [4-(1H-benzimidazol-2-yl)piperazin-1-yl]-(2-iodophenyl)methanone?
The IUPAC name of [4-(1H-benzimidazol-2-yl)piperazin-1-yl]-(2-iodophenyl)methanone (CID 133282698) is [4-(1H-benzimidazol-2-yl)piperazin-1-yl]-(2-iodophenyl)methanone.
What is the SMILES notation for [4-(1H-benzimidazol-2-yl)piperazin-1-yl]-(2-iodophenyl)methanone?
The canonical SMILES for [4-(1H-benzimidazol-2-yl)piperazin-1-yl]-(2-iodophenyl)methanone is O=C(c1ccccc1I)N1CCN(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of [4-(1H-benzimidazol-2-yl)piperazin-1-yl]-(2-iodophenyl)methanone?
The InChIKey is CBLJJZQMLGCFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17IN4O/c19-14-6-2-1-5-13(14)17(24)22-9-11-23(12-10-22)18-20-15-7-3-4-8-16(15)21-18/h1-8H,9-12H2,(H,20,21).
What are the key properties of [4-(1H-benzimidazol-2-yl)piperazin-1-yl]-(2-iodophenyl)methanone?
[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-(2-iodophenyl)methanone has a molecular weight of 432.27 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-benzimidazol-2-yl)piperazin-1-yl]-(2-iodophenyl)methanone is sourced from PubChem (CID 133282698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).