2-[3-(3,5-dichlorophenyl)indolizin-2-yl]-1H-benzimidazole

C21H13Cl2N3 — CID 102517498

IUPAC2-[3-(3,5-dichlorophenyl)indolizin-2-yl]-1H-benzimidazole
SMILESClc1cc(Cl)cc(-c2c(-c3nc4ccccc4[nH]3)cc3ccccn23)c1
InChIInChI=1S/C21H13Cl2N3/c22-14-9-13(10-15(23)11-14)20-17(12-16-5-3-4-8-26(16)20)21-24-18-6-1-2-7-19(18)25-21/h1-12H,(H,24,25)
InChIKeyZRKRONVYAFFJOO-UHFFFAOYSA-N
MW378.26 g/mol
LogP6.46
Rot. Bonds2

About 2-[3-(3,5-dichlorophenyl)indolizin-2-yl]-1H-benzimidazole

2-[3-(3,5-dichlorophenyl)indolizin-2-yl]-1H-benzimidazole (PubChem CID 102517498) has the molecular formula C21H13Cl2N3 and a molecular weight of 378.26 g/mol. Its IUPAC name is 2-[3-(3,5-dichlorophenyl)indolizin-2-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[3-(3,5-dichlorophenyl)indolizin-2-yl]-1H-benzimidazole
PubChem CID102517498
Molecular FormulaC21H13Cl2N3
Molecular Weight378.26 g/mol
Exact Mass377.05
IUPAC Name2-[3-(3,5-dichlorophenyl)indolizin-2-yl]-1H-benzimidazole
SMILESClc1cc(Cl)cc(-c2c(-c3nc4ccccc4[nH]3)cc3ccccn23)c1
InChIInChI=1S/C21H13Cl2N3/c22-14-9-13(10-15(23)11-14)20-17(12-16-5-3-4-8-26(16)20)21-24-18-6-1-2-7-19(18)25-21/h1-12H,(H,24,25)
InChIKeyZRKRONVYAFFJOO-UHFFFAOYSA-N
XLogP6.46
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.26
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-bis(1H-benzimidazol-2-yl)-4-[3,5-bis(1H-benzimidazol-2-yl)-4-hydroxyphenyl]phenol
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2-[4-[3,5-bis[4-(1H-benzimidazol-2-yl)phenyl]phenyl]phenyl]-1H-benzimidazole
CID 102200427
2-(2-chloro-4-phenylphenyl)-1H-benzimidazole
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6-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)-1H-benzimidazole
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CID 71230104
2-(2-chloro-5-phenyl-4-pyridinyl)-1H-benzimidazole
CID 58037969
4-(3-aminophenyl)-3-(1H-benzimidazol-2-yl)aniline
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2-amino-6-(1H-benzimidazol-2-yl)-4-(3-chlorophenyl)pyridine-3-carbonitrile
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2-(4,6-dichloropyrimidin-2-yl)-1H-benzimidazole
CID 102008085

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dichlorophenyl)indolizin-2-yl]-1H-benzimidazole?
The IUPAC name of 2-[3-(3,5-dichlorophenyl)indolizin-2-yl]-1H-benzimidazole (CID 102517498) is 2-[3-(3,5-dichlorophenyl)indolizin-2-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[3-(3,5-dichlorophenyl)indolizin-2-yl]-1H-benzimidazole?
The canonical SMILES for 2-[3-(3,5-dichlorophenyl)indolizin-2-yl]-1H-benzimidazole is Clc1cc(Cl)cc(-c2c(-c3nc4ccccc4[nH]3)cc3ccccn23)c1.
What is the InChIKey of 2-[3-(3,5-dichlorophenyl)indolizin-2-yl]-1H-benzimidazole?
The InChIKey is ZRKRONVYAFFJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl2N3/c22-14-9-13(10-15(23)11-14)20-17(12-16-5-3-4-8-26(16)20)21-24-18-6-1-2-7-19(18)25-21/h1-12H,(H,24,25).
What are the key properties of 2-[3-(3,5-dichlorophenyl)indolizin-2-yl]-1H-benzimidazole?
2-[3-(3,5-dichlorophenyl)indolizin-2-yl]-1H-benzimidazole has a molecular weight of 378.26 g/mol, XLogP of 6.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-dichlorophenyl)indolizin-2-yl]-1H-benzimidazole is sourced from PubChem (CID 102517498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).