6-bromo-2-[(Z)-2-chloroprop-1-enyl]-1H-benzimidazole;ethane

C12H14BrClN2 — CID 91546288

IUPAC6-bromo-2-[(Z)-2-chloroprop-1-enyl]-1H-benzimidazole;ethane
SMILESC/C(Cl)=C/c1nc2ccc(Br)cc2[nH]1.CC
InChIInChI=1S/C10H8BrClN2.C2H6/c1-6(12)4-10-13-8-3-2-7(11)5-9(8)14-10;1-2/h2-5H,1H3,(H,13,14);1-2H3/b6-4-;
InChIKeyQJSWZQHJHOAJAW-YHSAGPEESA-N
MW301.62 g/mol
LogP4.95
Rot. Bonds1

About 6-bromo-2-[(Z)-2-chloroprop-1-enyl]-1H-benzimidazole;ethane

6-bromo-2-[(Z)-2-chloroprop-1-enyl]-1H-benzimidazole;ethane (PubChem CID 91546288) has the molecular formula C12H14BrClN2 and a molecular weight of 301.62 g/mol. Its IUPAC name is 6-bromo-2-[(Z)-2-chloroprop-1-enyl]-1H-benzimidazole;ethane.

Molecular Properties

Compound Name6-bromo-2-[(Z)-2-chloroprop-1-enyl]-1H-benzimidazole;ethane
PubChem CID91546288
Molecular FormulaC12H14BrClN2
Molecular Weight301.62 g/mol
Exact Mass300.00
IUPAC Name6-bromo-2-[(Z)-2-chloroprop-1-enyl]-1H-benzimidazole;ethane
SMILESC/C(Cl)=C/c1nc2ccc(Br)cc2[nH]1.CC
InChIInChI=1S/C10H8BrClN2.C2H6/c1-6(12)4-10-13-8-3-2-7(11)5-9(8)14-10;1-2/h2-5H,1H3,(H,13,14);1-2H3/b6-4-;
InChIKeyQJSWZQHJHOAJAW-YHSAGPEESA-N
XLogP4.95
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.62
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-bromo-2-[(Z)-2-chloroprop-1-enyl]-1H-benzimidazole
CID 59008040
6-bromo-2-[(Z)-2-chloro-2-phenylethenyl]-1H-benzimidazole
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6-bromo-2-[(E)-2-phenylethenyl]-1H-benzimidazole;ethane
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6-bromo-2-(1-chloroethyl)-1H-benzimidazole;hydrochloride
CID 47003348
6-bromo-2-[bromo(difluoro)methyl]-1H-benzimidazole
CID 119085035
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CID 67165368
3-(6-bromo-1H-benzimidazol-2-yl)propan-1-ol
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N-[(6-bromo-1H-benzimidazol-2-yl)methyl]propan-2-amine
CID 60837050
(E)-3-(6-bromo-1H-benzimidazol-2-yl)-1-(1,3,4-oxadiazol-2-yl)prop-2-en-1-one
CID 172638252

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[(Z)-2-chloroprop-1-enyl]-1H-benzimidazole;ethane?
The IUPAC name of 6-bromo-2-[(Z)-2-chloroprop-1-enyl]-1H-benzimidazole;ethane (CID 91546288) is 6-bromo-2-[(Z)-2-chloroprop-1-enyl]-1H-benzimidazole;ethane.
What is the SMILES notation for 6-bromo-2-[(Z)-2-chloroprop-1-enyl]-1H-benzimidazole;ethane?
The canonical SMILES for 6-bromo-2-[(Z)-2-chloroprop-1-enyl]-1H-benzimidazole;ethane is C/C(Cl)=C/c1nc2ccc(Br)cc2[nH]1.CC.
What is the InChIKey of 6-bromo-2-[(Z)-2-chloroprop-1-enyl]-1H-benzimidazole;ethane?
The InChIKey is QJSWZQHJHOAJAW-YHSAGPEESA-N. The full InChI is InChI=1S/C10H8BrClN2.C2H6/c1-6(12)4-10-13-8-3-2-7(11)5-9(8)14-10;1-2/h2-5H,1H3,(H,13,14);1-2H3/b6-4-;.
What are the key properties of 6-bromo-2-[(Z)-2-chloroprop-1-enyl]-1H-benzimidazole;ethane?
6-bromo-2-[(Z)-2-chloroprop-1-enyl]-1H-benzimidazole;ethane has a molecular weight of 301.62 g/mol, XLogP of 4.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[(Z)-2-chloroprop-1-enyl]-1H-benzimidazole;ethane is sourced from PubChem (CID 91546288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).