3-(4-iodophenyl)pyrido[1,2-a]benzimidazole

C17H11IN2 — CID 122222891

IUPAC3-(4-iodophenyl)pyrido[1,2-a]benzimidazole
SMILESIc1ccc(-c2ccn3c(c2)nc2ccccc23)cc1
InChIInChI=1S/C17H11IN2/c18-14-7-5-12(6-8-14)13-9-10-20-16-4-2-1-3-15(16)19-17(20)11-13/h1-11H
InChIKeyBOCDRGHVWAIPSQ-UHFFFAOYSA-N
MW370.19 g/mol
LogP4.76
Rot. Bonds1

About 3-(4-iodophenyl)pyrido[1,2-a]benzimidazole

3-(4-iodophenyl)pyrido[1,2-a]benzimidazole (PubChem CID 122222891) has the molecular formula C17H11IN2 and a molecular weight of 370.19 g/mol. Its IUPAC name is 3-(4-iodophenyl)pyrido[1,2-a]benzimidazole.

Molecular Properties

Compound Name3-(4-iodophenyl)pyrido[1,2-a]benzimidazole
PubChem CID122222891
Molecular FormulaC17H11IN2
Molecular Weight370.19 g/mol
Exact Mass370.00
IUPAC Name3-(4-iodophenyl)pyrido[1,2-a]benzimidazole
SMILESIc1ccc(-c2ccn3c(c2)nc2ccccc23)cc1
InChIInChI=1S/C17H11IN2/c18-14-7-5-12(6-8-14)13-9-10-20-16-4-2-1-3-15(16)19-17(20)11-13/h1-11H
InChIKeyBOCDRGHVWAIPSQ-UHFFFAOYSA-N
XLogP4.76
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.19
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methoxyphenyl)pyrido[1,2-a]benzimidazole
CID 67300877
3-bromopyrido[1,2-a]benzimidazole
CID 132596716
4-(4-iodophenyl)pyrrolo[1,2-a]quinoxaline
CID 162419329
N,N-dimethylpyrido[1,2-a]benzimidazol-3-amine
CID 142743723
3-buta-1,3-dien-2-ylpyrido[1,2-a]benzimidazole
CID 175623593
2-(4-iodophenyl)-1-methylbenzimidazole
CID 23094064
7-phenyl-4,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),5,7,9,12,15,17,19-nonaene
CID 146301085
3-[4-(4-dimethylphosphorylphenyl)phenyl]benzimidazolo[1,2-a]quinoline
CID 164745434
3-[(E)-prop-1-enyl]pyrimido[1,6-a]benzimidazole
CID 11413142
methane;3-(4-methoxyphenyl)pyrido[1,2-a]benzimidazol-1-amine
CID 160864544
12-[4-(2,3-diphenylimidazo[1,2-a]pyridin-7-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 160666176
7-[2-[3,5-bis[2-(11-oxopyrido[2,1-b]quinazolin-7-yl)phenyl]phenyl]phenyl]pyrido[2,1-b]quinazolin-11-one
CID 134191367

Frequently Asked Questions

What is the IUPAC name of 3-(4-iodophenyl)pyrido[1,2-a]benzimidazole?
The IUPAC name of 3-(4-iodophenyl)pyrido[1,2-a]benzimidazole (CID 122222891) is 3-(4-iodophenyl)pyrido[1,2-a]benzimidazole.
What is the SMILES notation for 3-(4-iodophenyl)pyrido[1,2-a]benzimidazole?
The canonical SMILES for 3-(4-iodophenyl)pyrido[1,2-a]benzimidazole is Ic1ccc(-c2ccn3c(c2)nc2ccccc23)cc1.
What is the InChIKey of 3-(4-iodophenyl)pyrido[1,2-a]benzimidazole?
The InChIKey is BOCDRGHVWAIPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11IN2/c18-14-7-5-12(6-8-14)13-9-10-20-16-4-2-1-3-15(16)19-17(20)11-13/h1-11H.
What are the key properties of 3-(4-iodophenyl)pyrido[1,2-a]benzimidazole?
3-(4-iodophenyl)pyrido[1,2-a]benzimidazole has a molecular weight of 370.19 g/mol, XLogP of 4.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-iodophenyl)pyrido[1,2-a]benzimidazole is sourced from PubChem (CID 122222891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).