5-chloro-1-ethenyl-2-[(Z)-prop-1-enyl]-3H-imidazo[1,2-a]benzimidazole

C14H12ClN3 — CID 145283610

IUPAC5-chloro-1-ethenyl-2-[(Z)-prop-1-enyl]-3H-imidazo[1,2-a]benzimidazole
SMILESC=Cc1c(/C=C\C)[nH]c2nc3c(Cl)cccc3n12
InChIInChI=1S/C14H12ClN3/c1-3-6-10-11(4-2)18-12-8-5-7-9(15)13(12)17-14(18)16-10/h3-8H,2H2,1H3,(H,16,17)/b6-3-
InChIKeyMJNNTVFVKZTLQF-UTCJRWHESA-N
MW257.72 g/mol
LogP4.15
Rot. Bonds2

About 5-chloro-1-ethenyl-2-[(Z)-prop-1-enyl]-3H-imidazo[1,2-a]benzimidazole

5-chloro-1-ethenyl-2-[(Z)-prop-1-enyl]-3H-imidazo[1,2-a]benzimidazole (PubChem CID 145283610) has the molecular formula C14H12ClN3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 5-chloro-1-ethenyl-2-[(Z)-prop-1-enyl]-3H-imidazo[1,2-a]benzimidazole.

Molecular Properties

Compound Name5-chloro-1-ethenyl-2-[(Z)-prop-1-enyl]-3H-imidazo[1,2-a]benzimidazole
PubChem CID145283610
Molecular FormulaC14H12ClN3
Molecular Weight257.72 g/mol
Exact Mass257.07
IUPAC Name5-chloro-1-ethenyl-2-[(Z)-prop-1-enyl]-3H-imidazo[1,2-a]benzimidazole
SMILESC=Cc1c(/C=C\C)[nH]c2nc3c(Cl)cccc3n12
InChIInChI=1S/C14H12ClN3/c1-3-6-10-11(4-2)18-12-8-5-7-9(15)13(12)17-14(18)16-10/h3-8H,2H2,1H3,(H,16,17)/b6-3-
InChIKeyMJNNTVFVKZTLQF-UTCJRWHESA-N
XLogP4.15
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-2-methyl-3H-imidazo[1,2-a]benzimidazol-1-yl)acetic acid
CID 84639275
3-(1-bromo-5-chloro-3H-imidazo[1,2-a]benzimidazol-2-yl)propanoic acid
CID 84646743
2-ethenyl-6,7-dimethyl-1-[(Z)-prop-1-enyl]-4H-imidazo[1,2-a]benzimidazole
CID 145008593
4-chloro-2-(1-chloroethyl)-1-methylbenzimidazole
CID 104837313
2-bromo-4-chloro-1-propan-2-ylbenzimidazole
CID 83845123
4-chloro-2-methyl-1-propan-2-ylbenzimidazole
CID 83449668
4-chloro-1-(1-phenylethyl)benzimidazol-2-amine
CID 104836790
4-chloro-1-(2-chloro-6-methylphenyl)benzimidazol-2-amine
CID 104837184
8-chloro-3-methoxyquinoline
CID 11074271
4-chloro-2-(1-chloroethyl)-1-(2-chlorophenyl)benzimidazole
CID 104837537
8-chloroquinoline;ethane
CID 142246255
2-ethenyl-3-[(Z)-prop-1-enyl]-1-prop-2-ynylindole
CID 155470797

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-ethenyl-2-[(Z)-prop-1-enyl]-3H-imidazo[1,2-a]benzimidazole?
The IUPAC name of 5-chloro-1-ethenyl-2-[(Z)-prop-1-enyl]-3H-imidazo[1,2-a]benzimidazole (CID 145283610) is 5-chloro-1-ethenyl-2-[(Z)-prop-1-enyl]-3H-imidazo[1,2-a]benzimidazole.
What is the SMILES notation for 5-chloro-1-ethenyl-2-[(Z)-prop-1-enyl]-3H-imidazo[1,2-a]benzimidazole?
The canonical SMILES for 5-chloro-1-ethenyl-2-[(Z)-prop-1-enyl]-3H-imidazo[1,2-a]benzimidazole is C=Cc1c(/C=C\C)[nH]c2nc3c(Cl)cccc3n12.
What is the InChIKey of 5-chloro-1-ethenyl-2-[(Z)-prop-1-enyl]-3H-imidazo[1,2-a]benzimidazole?
The InChIKey is MJNNTVFVKZTLQF-UTCJRWHESA-N. The full InChI is InChI=1S/C14H12ClN3/c1-3-6-10-11(4-2)18-12-8-5-7-9(15)13(12)17-14(18)16-10/h3-8H,2H2,1H3,(H,16,17)/b6-3-.
What are the key properties of 5-chloro-1-ethenyl-2-[(Z)-prop-1-enyl]-3H-imidazo[1,2-a]benzimidazole?
5-chloro-1-ethenyl-2-[(Z)-prop-1-enyl]-3H-imidazo[1,2-a]benzimidazole has a molecular weight of 257.72 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-ethenyl-2-[(Z)-prop-1-enyl]-3H-imidazo[1,2-a]benzimidazole is sourced from PubChem (CID 145283610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).